NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
570042 | 2mb7 | 19391 | cing | 1-original | 5 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 GLY 1 H1 GLY 1 -20.315 9.575 -7.452 2 H2 GLY 1 H2 GLY 1 -20.325 10.380 -5.956 3 H3 GLY 1 H3 GLY 1 -21.786 9.886 -6.666 4 HA2 GLY 1 HA2 GLY 1 -21.420 7.568 -6.336 5 HA3 GLY 1 HA3 GLY 1 -19.764 7.974 -5.790 6 H SER 2 H SER 2 -21.564 6.584 -4.169 7 HA SER 2 HA SER 2 -21.022 8.202 -1.776 8 HB2 SER 2 HB3 SER 2 -22.310 6.631 -0.609 9 HB3 SER 2 HB2 SER 2 -23.031 6.577 -2.216 10 HG SER 2 HG SER 2 -22.587 4.486 -1.494 11 H MET 3 H MET 3 -19.577 7.536 -0.085 12 HA MET 3 HA MET 3 -17.383 6.892 0.532 13 HB2 MET 3 HB3 MET 3 -18.699 4.310 -0.355 14 HB3 MET 3 HB2 MET 3 -17.162 4.371 0.508 15 HG2 MET 3 HG3 MET 3 -18.273 5.612 2.353 16 HG3 MET 3 HG2 MET 3 -19.811 5.462 1.503 17 HE1 MET 3 HE1 MET 3 -20.495 3.010 4.295 18 HE2 MET 3 HE2 MET 3 -20.793 4.575 3.545 19 HE3 MET 3 HE3 MET 3 -19.367 4.348 4.554 20 H GLU 4 H GLU 4 -16.868 8.132 -1.682 21 HA GLU 4 HA GLU 4 -15.967 6.504 -3.895 22 HB2 GLU 4 HB3 GLU 4 -15.306 9.355 -3.097 23 HB3 GLU 4 HB2 GLU 4 -14.813 8.611 -4.619 24 HG2 GLU 4 HG2 GLU 4 -17.139 8.246 -5.246 25 HG3 GLU 4 HG3 GLU 4 -17.686 8.855 -3.684 26 H ARG 5 H ARG 5 -14.040 5.451 -4.120 27 HA ARG 5 HA ARG 5 -11.861 6.125 -2.185 28 HB2 ARG 5 HB3 ARG 5 -11.297 3.721 -2.102 29 HB3 ARG 5 HB2 ARG 5 -12.945 4.001 -1.542 30 HG2 ARG 5 HG3 ARG 5 -13.770 3.450 -3.838 31 HG3 ARG 5 HG2 ARG 5 -12.116 3.044 -4.296 32 HD2 ARG 5 HD3 ARG 5 -12.048 1.333 -2.509 33 HD3 ARG 5 HD2 ARG 5 -13.715 1.722 -2.085 34 HE ARG 5 HE ARG 5 -13.387 1.004 -4.895 35 HH11 ARG 5 HH21 ARG 5 -13.829 -0.081 -1.652 36 HH12 ARG 5 HH22 ARG 5 -14.576 -1.574 -2.112 37 HH21 ARG 5 HH11 ARG 5 -14.360 -0.940 -5.515 38 HH22 ARG 5 HH12 ARG 5 -14.877 -2.060 -4.299 39 H LYS 6 H LYS 6 -9.855 6.375 -3.113 40 HA LYS 6 HA LYS 6 -9.693 6.242 -6.047 41 HB2 LYS 6 HB3 LYS 6 -7.665 7.085 -3.953 42 HB3 LYS 6 HB2 LYS 6 -7.428 7.221 -5.695 43 HG2 LYS 6 HG3 LYS 6 -8.837 9.007 -5.881 44 HG3 LYS 6 HG2 LYS 6 -9.951 8.381 -4.665 45 HD2 LYS 6 HD3 LYS 6 -8.759 9.300 -2.897 46 HD3 LYS 6 HD2 LYS 6 -7.237 9.301 -3.789 47 HE2 LYS 6 HE3 LYS 6 -8.126 11.597 -3.515 48 HE3 LYS 6 HE2 LYS 6 -8.054 11.130 -5.214 49 HZ1 LYS 6 HZ1 LYS 6 -10.239 12.096 -3.954 50 HZ2 LYS 6 HZ2 LYS 6 -10.523 10.420 -3.924 51 HZ3 LYS 6 HZ3 LYS 6 -10.260 11.215 -5.403 52 H ARG 7 H ARG 7 -7.594 5.239 -6.967 53 HA ARG 7 HA ARG 7 -6.555 2.938 -5.462 54 HB2 ARG 7 HB3 ARG 7 -8.699 2.087 -6.390 55 HB3 ARG 7 HB2 ARG 7 -8.147 2.515 -8.010 56 HG2 ARG 7 HG3 ARG 7 -6.256 0.979 -7.808 57 HG3 ARG 7 HG2 ARG 7 -6.716 0.596 -6.149 58 HD2 ARG 7 HD3 ARG 7 -8.839 -0.346 -6.925 59 HD3 ARG 7 HD2 ARG 7 -8.447 0.092 -8.587 60 HE ARG 7 HE ARG 7 -6.922 -1.733 -8.671 61 HH11 ARG 7 HH21 ARG 7 -8.121 -1.098 -5.501 62 HH12 ARG 7 HH22 ARG 7 -7.497 -2.566 -4.826 63 HH21 ARG 7 HH11 ARG 7 -6.099 -3.653 -7.808 64 HH22 ARG 7 HH12 ARG 7 -6.352 -4.013 -6.133 65 H TRP 8 H TRP 8 -4.482 3.799 -5.833 66 HA TRP 8 HA TRP 8 -3.660 4.029 -8.699 67 HB2 TRP 8 HB3 TRP 8 -2.184 5.146 -6.304 68 HB3 TRP 8 HB2 TRP 8 -1.948 5.551 -8.004 69 HD1 TRP 8 HD1 TRP 8 -5.035 5.848 -8.772 70 HE1 TRP 8 HE1 TRP 8 -6.328 7.926 -7.961 71 HE3 TRP 8 HE3 TRP 8 -2.063 7.270 -4.869 72 HZ2 TRP 8 HZ2 TRP 8 -6.128 9.927 -5.926 73 HZ3 TRP 8 HZ3 TRP 8 -2.638 9.262 -3.512 74 HH2 TRP 8 HH2 TRP 8 -4.664 10.592 -4.036 75 H GLU 9 H GLU 9 -1.962 2.756 -9.422 76 HA GLU 9 HA GLU 9 -1.153 0.531 -7.685 77 HB2 GLU 9 HB3 GLU 9 0.068 -0.249 -9.719 78 HB3 GLU 9 HB2 GLU 9 -1.639 0.067 -10.034 79 HG2 GLU 9 HG2 GLU 9 -1.045 2.319 -10.895 80 HG3 GLU 9 HG3 GLU 9 0.660 1.951 -10.633 81 H CYS 10 H CYS 10 1.030 0.102 -7.066 82 HA CYS 10 HA CYS 10 2.799 2.514 -7.163 83 HB2 CYS 10 HB3 CYS 10 2.832 0.306 -5.087 84 HB3 CYS 10 HB2 CYS 10 3.698 1.841 -5.025 85 HG CYS 10 HG CYS 10 0.572 1.676 -4.882 86 HA PRO 11 HA PRO 11 5.076 -0.414 -9.826 87 HB2 PRO 11 HB3 PRO 11 6.772 2.029 -9.995 88 HB3 PRO 11 HB2 PRO 11 6.128 1.008 -11.295 89 HG2 PRO 11 HG3 PRO 11 5.106 3.409 -10.788 90 HG3 PRO 11 HG2 PRO 11 4.083 2.052 -11.287 91 HD2 PRO 11 HD3 PRO 11 4.405 3.262 -8.562 92 HD3 PRO 11 HD2 PRO 11 2.968 2.551 -9.330 93 H ALA 12 H ALA 12 6.205 1.571 -7.148 94 HA ALA 12 HA ALA 12 8.855 0.554 -6.923 95 HB1 ALA 12 HB1 ALA 12 7.033 1.358 -4.638 96 HB2 ALA 12 HB2 ALA 12 7.915 2.507 -5.643 97 HB3 ALA 12 HB3 ALA 12 8.796 1.357 -4.637 98 H LEU 13 H LEU 13 5.749 -0.733 -5.837 99 HA LEU 13 HA LEU 13 7.084 -2.981 -4.460 100 HB2 LEU 13 HB2 LEU 13 4.116 -2.654 -4.933 101 HB3 LEU 13 HB3 LEU 13 4.919 -3.579 -3.666 102 HG LEU 13 HG LEU 13 4.741 -0.575 -3.945 103 HD11 LEU 13 HD11 LEU 13 4.142 -2.399 -1.601 104 HD12 LEU 13 HD12 LEU 13 2.926 -1.900 -2.777 105 HD13 LEU 13 HD13 LEU 13 3.721 -0.695 -1.765 106 HD21 LEU 13 HD21 LEU 13 6.646 -2.284 -2.339 107 HD22 LEU 13 HD22 LEU 13 6.207 -0.658 -1.813 108 HD23 LEU 13 HD23 LEU 13 7.017 -0.896 -3.361 109 HA PRO 14 HA PRO 14 7.039 -5.917 -7.729 110 HB2 PRO 14 HB3 PRO 14 5.496 -7.737 -5.942 111 HB3 PRO 14 HB2 PRO 14 7.046 -8.006 -6.763 112 HG2 PRO 14 HG3 PRO 14 6.930 -7.552 -4.148 113 HG3 PRO 14 HG2 PRO 14 8.250 -6.914 -5.141 114 HD2 PRO 14 HD3 PRO 14 5.898 -5.456 -3.983 115 HD3 PRO 14 HD2 PRO 14 7.561 -4.892 -4.256 116 H GLN 15 H GLN 15 5.683 -6.586 -9.424 117 HA GLN 15 HA GLN 15 3.193 -5.380 -9.822 118 HB2 GLN 15 HB3 GLN 15 4.058 -8.076 -10.914 119 HB3 GLN 15 HB2 GLN 15 2.823 -7.022 -11.603 120 HG2 GLN 15 HG2 GLN 15 5.768 -6.356 -11.302 121 HG3 GLN 15 HG3 GLN 15 4.937 -6.735 -12.812 122 HE21 GLN 15 HE21 GLN 15 6.208 -4.132 -11.469 123 HE22 GLN 15 HE22 GLN 15 5.046 -2.948 -11.829 124 H GLY 16 H GLY 16 1.199 -5.723 -8.960 125 HA2 GLY 16 HA2 GLY 16 -0.517 -7.536 -8.466 126 HA3 GLY 16 HA3 GLY 16 0.750 -8.298 -7.504 127 H TRP 17 H TRP 17 1.582 -5.410 -6.746 128 HA TRP 17 HA TRP 17 -0.248 -5.248 -4.422 129 HB2 TRP 17 HB3 TRP 17 2.354 -3.828 -5.064 130 HB3 TRP 17 HB2 TRP 17 1.425 -3.574 -3.588 131 HD1 TRP 17 HD1 TRP 17 2.601 -6.737 -5.502 132 HE1 TRP 17 HE1 TRP 17 3.606 -8.376 -3.786 133 HE3 TRP 17 HE3 TRP 17 2.026 -4.001 -1.229 134 HZ2 TRP 17 HZ2 TRP 17 4.100 -8.510 -0.971 135 HZ3 TRP 17 HZ3 TRP 17 2.772 -4.908 0.954 136 HH2 TRP 17 HH2 TRP 17 3.808 -7.157 1.088 137 H GLU 18 H GLU 18 -1.360 -3.283 -3.895 138 HA GLU 18 HA GLU 18 -1.402 -1.168 -5.977 139 HB2 GLU 18 HB3 GLU 18 -3.828 -2.739 -5.059 140 HB3 GLU 18 HB2 GLU 18 -3.918 -1.231 -5.970 141 HG2 GLU 18 HG2 GLU 18 -4.018 -2.825 -7.678 142 HG3 GLU 18 HG3 GLU 18 -2.294 -2.452 -7.630 143 H ARG 19 H ARG 19 -2.528 0.799 -5.183 144 HA ARG 19 HA ARG 19 -2.597 0.903 -2.192 145 HB2 ARG 19 HB3 ARG 19 -0.710 2.195 -2.811 146 HB3 ARG 19 HB2 ARG 19 -1.536 2.881 -4.211 147 HG2 ARG 19 HG3 ARG 19 -2.995 4.189 -2.799 148 HG3 ARG 19 HG2 ARG 19 -2.398 3.378 -1.350 149 HD2 ARG 19 HD3 ARG 19 -0.245 4.390 -1.551 150 HD3 ARG 19 HD2 ARG 19 -0.581 4.945 -3.191 151 HE ARG 19 HE ARG 19 -2.508 6.253 -1.793 152 HH11 ARG 19 HH21 ARG 19 0.854 5.728 -1.241 153 HH12 ARG 19 HH22 ARG 19 1.082 7.218 -0.387 154 HH21 ARG 19 HH11 ARG 19 -2.230 8.201 -0.681 155 HH22 ARG 19 HH12 ARG 19 -0.664 8.618 -0.071 156 H GLU 20 H GLU 20 -4.155 2.451 -1.304 157 HA GLU 20 HA GLU 20 -6.206 3.463 -3.184 158 HB2 GLU 20 HB3 GLU 20 -6.785 1.513 -0.935 159 HB3 GLU 20 HB2 GLU 20 -8.023 2.426 -1.798 160 HG2 GLU 20 HG2 GLU 20 -7.284 1.409 -3.928 161 HG3 GLU 20 HG3 GLU 20 -6.070 0.476 -3.052 162 H GLU 21 H GLU 21 -7.259 5.291 -2.378 163 HA GLU 21 HA GLU 21 -6.377 6.187 0.337 164 HB2 GLU 21 HB3 GLU 21 -5.551 7.534 -1.640 165 HB3 GLU 21 HB2 GLU 21 -7.233 7.949 -1.976 166 HG2 GLU 21 HG2 GLU 21 -7.463 8.992 0.214 167 HG3 GLU 21 HG3 GLU 21 -5.834 8.482 0.661 168 H VAL 22 H VAL 22 -7.978 6.686 1.793 169 HA VAL 22 HA VAL 22 -10.778 6.830 0.752 170 HB VAL 22 HB VAL 22 -10.109 5.566 3.405 171 HG11 VAL 22 HG21 VAL 22 -12.267 4.393 2.913 172 HG12 VAL 22 HG22 VAL 22 -12.403 5.344 1.434 173 HG13 VAL 22 HG23 VAL 22 -12.440 6.146 3.004 174 HG21 VAL 22 HG13 VAL 22 -10.117 3.371 2.285 175 HG22 VAL 22 HG11 VAL 22 -8.803 4.373 1.668 176 HG23 VAL 22 HG12 VAL 22 -10.275 4.163 0.718 177 HA PRO 23 HA PRO 23 -10.531 10.577 3.184 178 HB2 PRO 23 HB3 PRO 23 -12.961 11.564 2.476 179 HB3 PRO 23 HB2 PRO 23 -11.565 11.591 1.382 180 HG2 PRO 23 HG3 PRO 23 -13.907 9.764 1.418 181 HG3 PRO 23 HG2 PRO 23 -13.021 10.440 0.042 182 HD2 PRO 23 HD3 PRO 23 -12.657 7.855 1.004 183 HD3 PRO 23 HD2 PRO 23 -11.440 8.744 0.062 184 H ARG 24 H ARG 24 -11.018 10.816 5.333 185 HA ARG 24 HA ARG 24 -13.004 9.060 6.571 186 HB2 ARG 24 HB3 ARG 24 -11.357 11.293 7.797 187 HB3 ARG 24 HB2 ARG 24 -12.238 10.046 8.678 188 HG2 ARG 24 HG3 ARG 24 -10.163 9.298 6.626 189 HG3 ARG 24 HG2 ARG 24 -9.692 9.696 8.278 190 HD2 ARG 24 HD3 ARG 24 -11.658 7.539 7.455 191 HD3 ARG 24 HD2 ARG 24 -10.029 7.280 8.078 192 HE ARG 24 HE ARG 24 -11.310 8.807 10.032 193 HH11 ARG 24 HH21 ARG 24 -11.806 5.820 8.383 194 HH12 ARG 24 HH22 ARG 24 -12.618 5.066 9.715 195 HH21 ARG 24 HH11 ARG 24 -12.367 7.840 11.780 196 HH22 ARG 24 HH12 ARG 24 -12.936 6.210 11.638 197 H ARG 25 H ARG 25 -14.780 9.905 7.914 198 HA ARG 25 HA ARG 25 -15.628 12.684 7.413 199 HB2 ARG 25 HB3 ARG 25 -17.143 10.275 6.379 200 HB3 ARG 25 HB2 ARG 25 -17.891 11.857 6.594 201 HG2 ARG 25 HG3 ARG 25 -16.167 12.849 5.100 202 HG3 ARG 25 HG2 ARG 25 -15.497 11.238 4.838 203 HD2 ARG 25 HD3 ARG 25 -16.997 11.777 2.996 204 HD3 ARG 25 HD2 ARG 25 -17.725 10.501 3.973 205 HE ARG 25 HE ARG 25 -18.622 13.055 4.918 206 HH11 ARG 25 HH21 ARG 25 -18.875 10.828 2.298 207 HH12 ARG 25 HH22 ARG 25 -20.481 11.312 1.867 208 HH21 ARG 25 HH11 ARG 25 -20.719 13.699 4.371 209 HH22 ARG 25 HH12 ARG 25 -21.525 12.938 3.041 210 H SER 26 H SER 26 -14.893 11.160 9.779 211 HA SER 26 HA SER 26 -17.521 10.823 11.146 212 HB2 SER 26 HB3 SER 26 -14.736 9.985 12.007 213 HB3 SER 26 HB2 SER 26 -16.217 9.672 12.907 214 HG SER 26 HG SER 26 -15.174 8.395 10.736 215 H GLY 27 H GLY 27 -18.144 12.807 11.922 216 HA2 GLY 27 HA2 GLY 27 -17.926 14.945 12.925 217 HA3 GLY 27 HA3 GLY 27 -17.177 13.981 14.199 218 H LEU 28 H LEU 28 -15.311 14.971 14.797 219 HA LEU 28 HA LEU 28 -13.847 16.783 13.134 220 HB2 LEU 28 HB2 LEU 28 -12.960 15.242 15.594 221 HB3 LEU 28 HB3 LEU 28 -12.075 16.588 14.874 222 HG LEU 28 HG LEU 28 -14.926 16.752 15.897 223 HD11 LEU 28 HD11 LEU 28 -13.378 16.447 17.757 224 HD12 LEU 28 HD12 LEU 28 -13.900 18.131 17.712 225 HD13 LEU 28 HD13 LEU 28 -12.305 17.686 17.105 226 HD21 LEU 28 HD21 LEU 28 -13.033 18.639 14.540 227 HD22 LEU 28 HD22 LEU 28 -14.135 19.285 15.756 228 HD23 LEU 28 HD23 LEU 28 -14.775 18.463 14.333 229 H SER 29 H SER 29 -13.707 13.310 13.547 230 HA SER 29 HA SER 29 -11.087 12.938 12.389 231 HB2 SER 29 HB3 SER 29 -13.313 11.251 13.273 232 HB3 SER 29 HB2 SER 29 -12.508 10.618 11.840 233 HG SER 29 HG SER 29 -10.531 11.292 13.228 234 H ALA 30 H ALA 30 -13.363 14.542 10.961 235 HA ALA 30 HA ALA 30 -13.537 13.040 8.421 236 HB1 ALA 30 HB1 ALA 30 -15.513 14.290 9.279 237 HB2 ALA 30 HB2 ALA 30 -15.001 14.862 7.691 238 HB3 ALA 30 HB3 ALA 30 -14.598 15.791 9.136 239 H GLY 31 H GLY 31 -12.927 14.205 6.377 240 HA2 GLY 31 HA2 GLY 31 -11.510 15.629 5.112 241 HA3 GLY 31 HA3 GLY 31 -10.985 16.390 6.615 242 H HIS 32 H HIS 32 -10.205 13.990 7.979 243 HA HIS 32 HA HIS 32 -7.521 13.714 7.056 244 HB2 HIS 32 HB2 HIS 32 -9.185 11.943 8.868 245 HB3 HIS 32 HB3 HIS 32 -7.451 11.740 8.619 246 HD1 HIS 32 HD1 HIS 32 -5.904 13.776 9.384 247 HD2 HIS 32 HD2 HIS 32 -9.875 14.000 10.643 248 HE1 HIS 32 HE1 HIS 32 -5.979 15.528 11.214 249 HE2 HIS 32 HE2 HIS 32 -8.391 15.672 11.987 250 H ARG 33 H ARG 33 -6.567 12.223 5.683 251 HA ARG 33 HA ARG 33 -8.430 10.314 4.327 252 HB2 ARG 33 HB3 ARG 33 -5.949 11.678 3.233 253 HB3 ARG 33 HB2 ARG 33 -6.948 10.522 2.352 254 HG2 ARG 33 HG3 ARG 33 -8.888 12.019 2.555 255 HG3 ARG 33 HG2 ARG 33 -7.914 13.171 3.470 256 HD2 ARG 33 HD3 ARG 33 -7.315 12.274 0.636 257 HD3 ARG 33 HD2 ARG 33 -8.103 13.793 1.064 258 HE ARG 33 HE ARG 33 -5.251 13.195 1.347 259 HH11 ARG 33 HH21 ARG 33 -7.966 15.058 2.371 260 HH12 ARG 33 HH22 ARG 33 -7.010 16.384 2.942 261 HH21 ARG 33 HH11 ARG 33 -3.986 14.916 2.088 262 HH22 ARG 33 HH12 ARG 33 -4.757 16.304 2.782 263 H ASP 34 H ASP 34 -7.928 8.188 4.567 264 HA ASP 34 HA ASP 34 -5.242 7.524 5.686 265 HB2 ASP 34 HB2 ASP 34 -7.302 6.858 6.985 266 HB3 ASP 34 HB3 ASP 34 -7.727 5.790 5.646 267 H VAL 35 H VAL 35 -3.946 5.997 4.636 268 HA VAL 35 HA VAL 35 -4.893 5.195 1.917 269 HB VAL 35 HB VAL 35 -2.049 5.491 2.931 270 HG11 VAL 35 HG21 VAL 35 -1.386 5.129 0.656 271 HG12 VAL 35 HG22 VAL 35 -3.054 5.216 0.088 272 HG13 VAL 35 HG23 VAL 35 -2.522 3.838 1.050 273 HG21 VAL 35 HG13 VAL 35 -1.974 7.598 1.895 274 HG22 VAL 35 HG11 VAL 35 -3.578 7.594 2.630 275 HG23 VAL 35 HG12 VAL 35 -3.396 7.267 0.906 276 H PHE 36 H PHE 36 -5.127 3.036 1.546 277 HA PHE 36 HA PHE 36 -3.876 1.160 3.514 278 HB2 PHE 36 HB3 PHE 36 -6.428 0.823 1.907 279 HB3 PHE 36 HB2 PHE 36 -5.749 -0.377 3.006 280 HD1 PHE 36 HD1 PHE 36 -5.632 0.074 5.449 281 HD2 PHE 36 HD2 PHE 36 -7.578 2.773 2.733 282 HE1 PHE 36 HE1 PHE 36 -6.762 1.180 7.359 283 HE2 PHE 36 HE2 PHE 36 -8.709 3.879 4.643 284 HZ PHE 36 HZ PHE 36 -8.301 3.083 6.955 285 H TYR 37 H TYR 37 -2.825 -0.675 2.672 286 HA TYR 37 HA TYR 37 -2.435 -0.644 -0.295 287 HB2 TYR 37 HB3 TYR 37 -0.559 -1.409 1.955 288 HB3 TYR 37 HB2 TYR 37 -0.243 -1.818 0.268 289 HD1 TYR 37 HD2 TYR 37 -0.887 1.037 2.579 290 HD2 TYR 37 HD1 TYR 37 0.621 -0.210 -1.246 291 HE1 TYR 37 HE2 TYR 37 0.010 3.316 2.189 292 HE2 TYR 37 HE1 TYR 37 1.517 2.070 -1.635 293 HH TYR 37 HH TYR 37 0.617 4.737 0.211 294 H TYR 38 H TYR 38 -2.420 -2.685 -1.368 295 HA TYR 38 HA TYR 38 -3.365 -4.987 0.291 296 HB2 TYR 38 HB3 TYR 38 -4.324 -4.192 -2.477 297 HB3 TYR 38 HB2 TYR 38 -4.812 -5.649 -1.611 298 HD1 TYR 38 HD1 TYR 38 -6.259 -5.528 0.360 299 HD2 TYR 38 HD2 TYR 38 -5.083 -1.982 -1.760 300 HE1 TYR 38 HE1 TYR 38 -8.012 -4.237 1.547 301 HE2 TYR 38 HE2 TYR 38 -6.837 -0.691 -0.573 302 HH TYR 38 HH TYR 38 -8.999 -1.153 0.571 303 H SER 39 H SER 39 -2.410 -6.959 -0.201 304 HA SER 39 HA SER 39 -0.174 -6.857 -2.157 305 HB2 SER 39 HB3 SER 39 -0.453 -9.326 -0.622 306 HB3 SER 39 HB2 SER 39 0.925 -8.235 -0.744 307 HG SER 39 HG SER 39 0.017 -6.951 0.830 308 HA PRO 40 HA PRO 40 -1.759 -9.677 -5.135 309 HB2 PRO 40 HB3 PRO 40 -0.007 -11.898 -4.207 310 HB3 PRO 40 HB2 PRO 40 -0.131 -11.153 -5.812 311 HG2 PRO 40 HG3 PRO 40 1.949 -10.675 -4.235 312 HG3 PRO 40 HG2 PRO 40 1.256 -9.407 -5.260 313 HD2 PRO 40 HD3 PRO 40 0.966 -9.809 -2.299 314 HD3 PRO 40 HD2 PRO 40 1.083 -8.288 -3.212 315 H SER 41 H SER 41 -1.501 -11.046 -1.892 316 HA SER 41 HA SER 41 -3.537 -13.097 -2.470 317 HB2 SER 41 HB3 SER 41 -3.197 -13.790 -0.160 318 HB3 SER 41 HB2 SER 41 -1.625 -13.542 -0.916 319 HG SER 41 HG SER 41 -3.039 -11.697 0.723 320 H GLY 42 H GLY 42 -3.632 -9.844 -1.899 321 HA2 GLY 42 HA2 GLY 42 -5.576 -8.517 -1.563 322 HA3 GLY 42 HA3 GLY 42 -6.461 -9.977 -1.122 323 H LYS 43 H LYS 43 -3.406 -9.408 0.410 324 HA LYS 43 HA LYS 43 -4.667 -9.319 3.028 325 HB2 LYS 43 HB3 LYS 43 -2.488 -10.395 2.746 326 HB3 LYS 43 HB2 LYS 43 -1.786 -8.877 2.184 327 HG2 LYS 43 HG3 LYS 43 -2.270 -7.832 4.358 328 HG3 LYS 43 HG2 LYS 43 -3.004 -9.332 4.925 329 HD2 LYS 43 HD3 LYS 43 -0.911 -10.502 4.809 330 HD3 LYS 43 HD2 LYS 43 -0.145 -9.168 3.947 331 HE2 LYS 43 HE3 LYS 43 -0.398 -7.721 5.912 332 HE3 LYS 43 HE2 LYS 43 -1.222 -9.018 6.778 333 HZ1 LYS 43 HZ1 LYS 43 1.272 -8.694 7.163 334 HZ2 LYS 43 HZ2 LYS 43 1.470 -9.427 5.643 335 HZ3 LYS 43 HZ3 LYS 43 0.705 -10.271 6.903 336 H LYS 44 H LYS 44 -5.370 -7.511 4.055 337 HA LYS 44 HA LYS 44 -4.678 -4.871 2.896 338 HB2 LYS 44 HB3 LYS 44 -7.054 -5.350 3.346 339 HB3 LYS 44 HB2 LYS 44 -6.679 -5.631 5.047 340 HG2 LYS 44 HG3 LYS 44 -5.881 -3.315 5.268 341 HG3 LYS 44 HG2 LYS 44 -6.224 -3.025 3.562 342 HD2 LYS 44 HD3 LYS 44 -8.614 -3.521 3.964 343 HD3 LYS 44 HD2 LYS 44 -8.267 -3.782 5.673 344 HE2 LYS 44 HE3 LYS 44 -7.440 -1.456 5.853 345 HE3 LYS 44 HE2 LYS 44 -7.826 -1.195 4.152 346 HZ1 LYS 44 HZ1 LYS 44 -9.998 -2.283 5.702 347 HZ2 LYS 44 HZ2 LYS 44 -9.989 -0.994 4.595 348 HZ3 LYS 44 HZ3 LYS 44 -9.509 -0.738 6.204 349 H PHE 45 H PHE 45 -3.052 -3.711 3.797 350 HA PHE 45 HA PHE 45 -2.610 -3.912 6.730 351 HB2 PHE 45 HB3 PHE 45 -0.090 -3.919 6.192 352 HB3 PHE 45 HB2 PHE 45 -0.960 -5.436 5.957 353 HD1 PHE 45 HD1 PHE 45 -2.034 -5.756 3.555 354 HD2 PHE 45 HD2 PHE 45 1.224 -3.100 4.444 355 HE1 PHE 45 HE1 PHE 45 -1.372 -5.768 1.166 356 HE2 PHE 45 HE2 PHE 45 1.886 -3.113 2.054 357 HZ PHE 45 HZ PHE 45 0.588 -4.447 0.415 358 H ARG 46 H ARG 46 -1.663 -2.006 7.622 359 HA ARG 46 HA ARG 46 -1.200 0.240 5.718 360 HB2 ARG 46 HB3 ARG 46 -2.432 1.732 7.359 361 HB3 ARG 46 HB2 ARG 46 -3.456 0.600 6.475 362 HG2 ARG 46 HG3 ARG 46 -2.322 -0.397 9.032 363 HG3 ARG 46 HG2 ARG 46 -3.543 0.868 9.167 364 HD2 ARG 46 HD3 ARG 46 -5.094 -0.452 7.798 365 HD3 ARG 46 HD2 ARG 46 -3.871 -1.706 7.597 366 HE ARG 46 HE ARG 46 -4.601 -1.065 10.382 367 HH11 ARG 46 HH21 ARG 46 -4.978 -3.028 7.572 368 HH12 ARG 46 HH22 ARG 46 -5.634 -4.376 8.438 369 HH21 ARG 46 HH11 ARG 46 -5.456 -2.814 11.530 370 HH22 ARG 46 HH12 ARG 46 -5.905 -4.255 10.679 371 H SER 47 H SER 47 1.037 -0.654 6.445 372 HA SER 47 HA SER 47 1.981 1.104 8.620 373 HB2 SER 47 HB3 SER 47 2.262 -1.909 8.668 374 HB3 SER 47 HB2 SER 47 3.279 -0.838 9.626 375 HG SER 47 HG SER 47 1.467 -0.107 10.689 376 H LYS 48 H LYS 48 3.925 1.969 8.036 377 HA LYS 48 HA LYS 48 5.082 1.440 5.486 378 HB2 LYS 48 HB3 LYS 48 5.691 3.531 6.271 379 HB3 LYS 48 HB2 LYS 48 5.916 2.959 7.925 380 HG2 LYS 48 HG3 LYS 48 8.032 2.038 7.451 381 HG3 LYS 48 HG2 LYS 48 7.737 2.027 5.712 382 HD2 LYS 48 HD3 LYS 48 7.687 4.541 5.776 383 HD3 LYS 48 HD2 LYS 48 8.187 4.457 7.465 384 HE2 LYS 48 HE3 LYS 48 10.289 3.541 6.926 385 HE3 LYS 48 HE2 LYS 48 9.757 3.031 5.324 386 HZ1 LYS 48 HZ1 LYS 48 10.133 5.049 4.462 387 HZ2 LYS 48 HZ2 LYS 48 11.145 5.265 5.810 388 HZ3 LYS 48 HZ3 LYS 48 9.557 5.871 5.829 389 HA PRO 49 HA PRO 49 8.558 -0.883 8.109 390 HB2 PRO 49 HB3 PRO 49 7.345 -2.097 10.324 391 HB3 PRO 49 HB2 PRO 49 8.381 -0.658 10.367 392 HG2 PRO 49 HG3 PRO 49 5.412 -0.855 10.350 393 HG3 PRO 49 HG2 PRO 49 6.467 0.256 11.241 394 HD2 PRO 49 HD3 PRO 49 5.154 1.116 9.047 395 HD3 PRO 49 HD2 PRO 49 6.826 1.639 9.346 396 H GLN 50 H GLN 50 5.182 -2.023 8.202 397 HA GLN 50 HA GLN 50 5.778 -4.802 7.826 398 HB2 GLN 50 HB3 GLN 50 3.331 -3.146 7.160 399 HB3 GLN 50 HB2 GLN 50 3.393 -4.897 6.958 400 HG2 GLN 50 HG2 GLN 50 3.943 -5.155 9.353 401 HG3 GLN 50 HG3 GLN 50 3.868 -3.404 9.555 402 HE21 GLN 50 HE21 GLN 50 1.544 -3.673 7.376 403 HE22 GLN 50 HE22 GLN 50 0.198 -4.035 8.346 404 H LEU 51 H LEU 51 5.283 -2.125 5.558 405 HA LEU 51 HA LEU 51 5.230 -3.714 3.173 406 HB2 LEU 51 HB2 LEU 51 5.755 -0.838 3.813 407 HB3 LEU 51 HB3 LEU 51 6.212 -1.434 2.217 408 HG LEU 51 HG LEU 51 3.502 -2.150 3.258 409 HD11 LEU 51 HD11 LEU 51 4.311 0.573 2.202 410 HD12 LEU 51 HD12 LEU 51 3.550 0.214 3.751 411 HD13 LEU 51 HD13 LEU 51 2.643 0.004 2.254 412 HD21 LEU 51 HD21 LEU 51 3.033 -1.717 0.769 413 HD22 LEU 51 HD22 LEU 51 4.090 -3.080 1.141 414 HD23 LEU 51 HD23 LEU 51 4.780 -1.557 0.581 415 H ALA 52 H ALA 52 7.901 -2.109 4.907 416 HA ALA 52 HA ALA 52 9.907 -3.001 3.006 417 HB1 ALA 52 HB1 ALA 52 11.502 -2.302 4.859 418 HB2 ALA 52 HB2 ALA 52 10.082 -1.881 5.815 419 HB3 ALA 52 HB3 ALA 52 10.406 -1.039 4.299 420 H ARG 53 H ARG 53 8.896 -4.086 6.255 421 HA ARG 53 HA ARG 53 10.787 -6.204 6.496 422 HB2 ARG 53 HB3 ARG 53 9.381 -5.364 8.371 423 HB3 ARG 53 HB2 ARG 53 7.967 -6.093 7.609 424 HG2 ARG 53 HG3 ARG 53 9.080 -8.315 7.726 425 HG3 ARG 53 HG2 ARG 53 10.438 -7.567 8.566 426 HD2 ARG 53 HD3 ARG 53 7.575 -7.462 9.554 427 HD3 ARG 53 HD2 ARG 53 8.768 -8.637 10.111 428 HE ARG 53 HE ARG 53 10.064 -6.280 10.566 429 HH11 ARG 53 HH21 ARG 53 6.864 -7.402 11.191 430 HH12 ARG 53 HH22 ARG 53 6.657 -6.430 12.609 431 HH21 ARG 53 HH11 ARG 53 9.812 -5.004 12.415 432 HH22 ARG 53 HH12 ARG 53 8.326 -5.071 13.303 433 H TYR 54 H TYR 54 7.482 -6.173 5.154 434 HA TYR 54 HA TYR 54 7.428 -8.981 4.537 435 HB2 TYR 54 HB3 TYR 54 5.451 -7.332 4.638 436 HB3 TYR 54 HB2 TYR 54 5.924 -6.852 3.009 437 HD1 TYR 54 HD2 TYR 54 5.803 -8.444 1.134 438 HD2 TYR 54 HD1 TYR 54 4.511 -9.528 5.085 439 HE1 TYR 54 HE2 TYR 54 4.632 -10.425 0.208 440 HE2 TYR 54 HE1 TYR 54 3.340 -11.508 4.160 441 HH TYR 54 HH TYR 54 3.359 -12.919 2.234 442 H LEU 55 H LEU 55 7.986 -6.134 2.429 443 HA LEU 55 HA LEU 55 9.036 -7.938 0.332 444 HB2 LEU 55 HB2 LEU 55 8.577 -4.940 0.374 445 HB3 LEU 55 HB3 LEU 55 9.158 -5.844 -1.024 446 HG LEU 55 HG LEU 55 6.550 -6.438 0.400 447 HD11 LEU 55 HD11 LEU 55 6.334 -4.255 -0.597 448 HD12 LEU 55 HD12 LEU 55 5.538 -5.399 -1.677 449 HD13 LEU 55 HD13 LEU 55 7.145 -4.787 -2.070 450 HD21 LEU 55 HD21 LEU 55 7.116 -8.383 -0.754 451 HD22 LEU 55 HD22 LEU 55 7.992 -7.505 -2.008 452 HD23 LEU 55 HD23 LEU 55 6.229 -7.504 -1.999 453 H GLY 56 H GLY 56 10.345 -6.885 3.043 454 HA2 GLY 56 HA2 GLY 56 12.616 -5.351 2.498 455 HA3 GLY 56 HA3 GLY 56 12.587 -6.633 3.710 456 H GLY 57 H GLY 57 12.820 -8.916 2.753 457 HA2 GLY 57 HA2 GLY 57 15.290 -9.164 1.421 458 HA3 GLY 57 HA3 GLY 57 14.082 -10.447 1.497 459 H SER 58 H SER 58 11.992 -9.254 0.062 460 HA SER 58 HA SER 58 12.728 -9.820 -2.624 461 HB2 SER 58 HB3 SER 58 10.547 -8.929 -3.233 462 HB3 SER 58 HB2 SER 58 10.387 -9.838 -1.732 463 HG SER 58 HG SER 58 10.435 -7.046 -2.150 464 H MET 59 H MET 59 12.826 -6.840 -0.770 465 HA MET 59 HA MET 59 14.654 -5.568 -2.538 466 HB2 MET 59 HB3 MET 59 12.918 -3.741 -3.280 467 HB3 MET 59 HB2 MET 59 13.038 -5.242 -4.198 468 HG2 MET 59 HG3 MET 59 10.982 -5.958 -3.536 469 HG3 MET 59 HG2 MET 59 11.197 -5.356 -1.893 470 HE1 MET 59 HE1 MET 59 11.115 -4.562 -5.405 471 HE2 MET 59 HE2 MET 59 10.619 -2.880 -5.577 472 HE3 MET 59 HE3 MET 59 9.398 -4.149 -5.509 473 H ASP 60 H ASP 60 14.712 -3.089 -2.015 474 HA ASP 60 HA ASP 60 14.215 -2.827 0.912 475 HB2 ASP 60 HB2 ASP 60 16.107 -1.449 -1.000 476 HB3 ASP 60 HB3 ASP 60 15.795 -0.817 0.617 477 H LEU 61 H LEU 61 12.546 -1.555 1.545 478 HA LEU 61 HA LEU 61 11.542 0.489 -0.398 479 HB2 LEU 61 HB2 LEU 61 10.018 -1.085 1.702 480 HB3 LEU 61 HB3 LEU 61 9.324 0.183 0.690 481 HG LEU 61 HG LEU 61 10.622 -2.352 -0.352 482 HD11 LEU 61 HD11 LEU 61 7.697 -1.553 -0.299 483 HD12 LEU 61 HD12 LEU 61 8.434 -2.698 0.822 484 HD13 LEU 61 HD13 LEU 61 8.365 -3.071 -0.900 485 HD21 LEU 61 HD21 LEU 61 9.466 0.112 -1.608 486 HD22 LEU 61 HD22 LEU 61 9.245 -1.433 -2.429 487 HD23 LEU 61 HD23 LEU 61 10.871 -0.837 -2.095 488 H SER 62 H SER 62 13.481 0.434 2.094 489 HA SER 62 HA SER 62 12.355 1.997 4.164 490 HB2 SER 62 HB3 SER 62 14.657 2.668 4.681 491 HB3 SER 62 HB2 SER 62 14.610 0.957 4.264 492 HG SER 62 HG SER 62 15.190 3.055 2.439 493 H THR 63 H THR 63 13.597 2.944 0.998 494 HA THR 63 HA THR 63 13.175 5.805 1.634 495 HB THR 63 HB THR 63 14.017 6.107 -0.747 496 HG1 THR 63 HG1 THR 63 14.837 4.314 -1.751 497 HG21 THR 63 HG21 THR 63 15.779 4.539 1.157 498 HG22 THR 63 HG22 THR 63 15.495 6.277 1.227 499 HG23 THR 63 HG23 THR 63 16.342 5.578 -0.152 500 H PHE 64 H PHE 64 11.005 3.637 1.251 501 HA PHE 64 HA PHE 64 9.579 4.662 -1.120 502 HB2 PHE 64 HB3 PHE 64 9.492 2.246 -0.576 503 HB3 PHE 64 HB2 PHE 64 8.726 2.629 0.966 504 HD1 PHE 64 HD1 PHE 64 8.318 3.289 -2.705 505 HD2 PHE 64 HD2 PHE 64 6.395 2.683 1.088 506 HE1 PHE 64 HE1 PHE 64 6.103 3.351 -3.819 507 HE2 PHE 64 HE2 PHE 64 4.180 2.744 -0.026 508 HZ PHE 64 HZ PHE 64 4.033 3.078 -2.479 509 H ASP 65 H ASP 65 7.908 6.125 -1.023 510 HA ASP 65 HA ASP 65 7.399 7.420 1.575 511 HB2 ASP 65 HB2 ASP 65 7.737 8.707 -0.584 512 HB3 ASP 65 HB3 ASP 65 6.175 8.084 -1.115 513 H PHE 66 H PHE 66 5.888 6.466 2.859 514 HA PHE 66 HA PHE 66 3.805 4.753 1.765 515 HB2 PHE 66 HB3 PHE 66 4.850 4.387 4.009 516 HB3 PHE 66 HB2 PHE 66 4.079 5.869 4.573 517 HD1 PHE 66 HD1 PHE 66 3.408 2.478 3.190 518 HD2 PHE 66 HD2 PHE 66 1.782 5.911 5.195 519 HE1 PHE 66 HE1 PHE 66 1.320 1.221 3.648 520 HE2 PHE 66 HE2 PHE 66 -0.307 4.654 5.653 521 HZ PHE 66 HZ PHE 66 -0.537 2.309 4.879 522 H ARG 67 H ARG 67 3.922 8.019 3.172 523 HA ARG 67 HA ARG 67 1.104 8.480 3.184 524 HB2 ARG 67 HB3 ARG 67 3.529 10.258 3.126 525 HB3 ARG 67 HB2 ARG 67 1.924 10.962 2.926 526 HG2 ARG 67 HG3 ARG 67 2.517 10.995 5.291 527 HG3 ARG 67 HG2 ARG 67 1.211 9.835 5.039 528 HD2 ARG 67 HD3 ARG 67 2.788 7.983 5.054 529 HD3 ARG 67 HD2 ARG 67 4.150 9.099 5.147 530 HE ARG 67 HE ARG 67 3.664 9.443 7.453 531 HH11 ARG 67 HH21 ARG 67 1.228 7.659 5.790 532 HH12 ARG 67 HH22 ARG 67 0.402 7.182 7.237 533 HH21 ARG 67 HH11 ARG 67 2.599 8.832 9.351 534 HH22 ARG 67 HH12 ARG 67 1.179 7.847 9.252 535 H THR 68 H THR 68 3.569 8.960 0.672 536 HA THR 68 HA THR 68 1.422 9.856 -1.192 537 HB THR 68 HB THR 68 3.210 10.691 -2.605 538 HG1 THR 68 HG1 THR 68 4.594 8.822 -1.835 539 HG21 THR 68 HG21 THR 68 4.185 12.350 -1.126 540 HG22 THR 68 HG22 THR 68 3.870 11.334 0.280 541 HG23 THR 68 HG23 THR 68 2.525 12.045 -0.612 542 H GLY 69 H GLY 69 3.297 7.133 -0.366 543 HA2 GLY 69 HA2 GLY 69 3.464 5.012 -1.356 544 HA3 GLY 69 HA3 GLY 69 2.085 5.474 -2.355 545 H LYS 70 H LYS 70 5.302 6.990 -2.185 546 HA LYS 70 HA LYS 70 5.753 6.135 -5.010 547 HB2 LYS 70 HB3 LYS 70 6.100 8.916 -3.853 548 HB3 LYS 70 HB2 LYS 70 6.713 8.422 -5.431 549 HG2 LYS 70 HG3 LYS 70 4.440 7.867 -6.168 550 HG3 LYS 70 HG2 LYS 70 3.805 8.295 -4.578 551 HD2 LYS 70 HD3 LYS 70 4.683 10.609 -4.892 552 HD3 LYS 70 HD2 LYS 70 5.189 10.166 -6.522 553 HE2 LYS 70 HE3 LYS 70 2.344 10.052 -5.477 554 HE3 LYS 70 HE2 LYS 70 2.990 11.292 -6.553 555 HZ1 LYS 70 HZ1 LYS 70 3.381 9.672 -8.230 556 HZ2 LYS 70 HZ2 LYS 70 1.779 9.475 -7.699 557 HZ3 LYS 70 HZ3 LYS 70 2.985 8.394 -7.188 558 H MET 71 H MET 71 8.024 6.031 -5.597 559 HA MET 71 HA MET 71 9.743 5.452 -3.259 560 HB2 MET 71 HB3 MET 71 9.664 3.810 -5.095 561 HB3 MET 71 HB2 MET 71 10.218 5.042 -6.229 562 HG2 MET 71 HG3 MET 71 12.310 5.290 -4.954 563 HG3 MET 71 HG2 MET 71 11.758 4.074 -3.802 564 HE1 MET 71 HE1 MET 71 10.892 2.071 -4.301 565 HE2 MET 71 HE2 MET 71 12.322 1.085 -4.595 566 HE3 MET 71 HE3 MET 71 11.016 1.103 -5.776 567 H LEU 72 H LEU 72 11.202 6.926 -2.542 568 HA LEU 72 HA LEU 72 12.237 8.945 -4.481 569 HB2 LEU 72 HB2 LEU 72 10.431 9.920 -3.022 570 HB3 LEU 72 HB3 LEU 72 11.441 9.561 -1.622 571 HG LEU 72 HG LEU 72 13.280 10.864 -2.999 572 HD11 LEU 72 HD11 LEU 72 10.718 12.104 -4.044 573 HD12 LEU 72 HD12 LEU 72 11.770 11.061 -5.000 574 HD13 LEU 72 HD13 LEU 72 12.367 12.613 -4.410 575 HD21 LEU 72 HD21 LEU 72 12.694 11.769 -0.920 576 HD22 LEU 72 HD22 LEU 72 10.996 11.937 -1.362 577 HD23 LEU 72 HD23 LEU 72 12.193 13.050 -2.025 Start of MODEL 2 1 H1 GLY 1 H1 GLY 1 -19.909 8.409 5.111 2 H2 GLY 1 H2 GLY 1 -21.158 8.901 6.153 3 H3 GLY 1 H3 GLY 1 -20.331 10.051 5.215 4 HA2 GLY 1 HA2 GLY 1 -22.469 8.072 4.469 5 HA3 GLY 1 HA3 GLY 1 -22.142 9.729 3.875 6 H SER 2 H SER 2 -20.068 10.474 3.031 7 HA SER 2 HA SER 2 -20.719 9.859 0.275 8 HB2 SER 2 HB3 SER 2 -19.827 12.057 0.899 9 HB3 SER 2 HB2 SER 2 -18.340 11.310 1.474 10 HG SER 2 HG SER 2 -17.677 11.130 -0.517 11 H MET 3 H MET 3 -19.810 8.322 -1.035 12 HA MET 3 HA MET 3 -17.635 6.657 0.154 13 HB2 MET 3 HB3 MET 3 -19.701 5.435 -0.389 14 HB3 MET 3 HB2 MET 3 -19.614 6.011 -2.054 15 HG2 MET 3 HG3 MET 3 -17.473 4.856 -2.366 16 HG3 MET 3 HG2 MET 3 -17.506 4.313 -0.689 17 HE1 MET 3 HE1 MET 3 -18.251 1.881 -0.173 18 HE2 MET 3 HE2 MET 3 -17.041 2.074 -1.439 19 HE3 MET 3 HE3 MET 3 -18.337 0.899 -1.641 20 H GLU 4 H GLU 4 -15.648 7.036 -0.682 21 HA GLU 4 HA GLU 4 -15.387 7.496 -3.599 22 HB2 GLU 4 HB3 GLU 4 -14.311 9.364 -1.468 23 HB3 GLU 4 HB2 GLU 4 -13.795 9.398 -3.154 24 HG2 GLU 4 HG2 GLU 4 -16.132 9.794 -3.859 25 HG3 GLU 4 HG3 GLU 4 -16.638 9.780 -2.169 26 H ARG 5 H ARG 5 -14.514 5.281 -3.386 27 HA ARG 5 HA ARG 5 -11.829 5.184 -2.088 28 HB2 ARG 5 HB3 ARG 5 -13.666 2.955 -3.015 29 HB3 ARG 5 HB2 ARG 5 -12.072 2.710 -2.303 30 HG2 ARG 5 HG3 ARG 5 -12.790 3.811 -0.239 31 HG3 ARG 5 HG2 ARG 5 -14.370 4.151 -0.947 32 HD2 ARG 5 HD3 ARG 5 -14.527 2.165 0.468 33 HD3 ARG 5 HD2 ARG 5 -14.736 1.700 -1.220 34 HE ARG 5 HE ARG 5 -11.964 1.495 -0.433 35 HH11 ARG 5 HH21 ARG 5 -15.080 0.038 -0.202 36 HH12 ARG 5 HH22 ARG 5 -14.460 -1.567 0.007 37 HH21 ARG 5 HH11 ARG 5 -11.138 -0.590 -0.160 38 HH22 ARG 5 HH12 ARG 5 -12.229 -1.922 0.032 39 H LYS 6 H LYS 6 -10.214 5.619 -3.511 40 HA LYS 6 HA LYS 6 -10.558 4.703 -6.337 41 HB2 LYS 6 HB3 LYS 6 -8.594 6.780 -5.342 42 HB3 LYS 6 HB2 LYS 6 -9.092 6.473 -7.005 43 HG2 LYS 6 HG3 LYS 6 -10.481 8.250 -6.576 44 HG3 LYS 6 HG2 LYS 6 -11.507 6.971 -5.931 45 HD2 LYS 6 HD3 LYS 6 -11.469 8.528 -4.175 46 HD3 LYS 6 HD2 LYS 6 -10.209 7.385 -3.705 47 HE2 LYS 6 HE3 LYS 6 -8.471 8.836 -4.440 48 HE3 LYS 6 HE2 LYS 6 -9.601 9.859 -5.329 49 HZ1 LYS 6 HZ1 LYS 6 -9.340 9.581 -2.390 50 HZ2 LYS 6 HZ2 LYS 6 -10.653 10.360 -3.136 51 HZ3 LYS 6 HZ3 LYS 6 -9.077 10.970 -3.326 52 H ARG 7 H ARG 7 -9.575 2.721 -6.472 53 HA ARG 7 HA ARG 7 -6.984 2.332 -5.050 54 HB2 ARG 7 HB3 ARG 7 -8.787 0.644 -4.693 55 HB3 ARG 7 HB2 ARG 7 -8.755 0.284 -6.420 56 HG2 ARG 7 HG3 ARG 7 -6.408 -0.399 -6.262 57 HG3 ARG 7 HG2 ARG 7 -6.384 0.020 -4.547 58 HD2 ARG 7 HD3 ARG 7 -6.712 -2.386 -4.775 59 HD3 ARG 7 HD2 ARG 7 -8.195 -1.655 -4.155 60 HE ARG 7 HE ARG 7 -8.044 -2.018 -7.084 61 HH11 ARG 7 HH21 ARG 7 -9.113 -3.075 -3.982 62 HH12 ARG 7 HH22 ARG 7 -10.382 -4.071 -4.612 63 HH21 ARG 7 HH11 ARG 7 -9.694 -3.313 -7.925 64 HH22 ARG 7 HH12 ARG 7 -10.711 -4.207 -6.844 65 H TRP 8 H TRP 8 -5.195 2.677 -6.268 66 HA TRP 8 HA TRP 8 -5.332 1.974 -9.173 67 HB2 TRP 8 HB3 TRP 8 -3.317 3.865 -8.964 68 HB3 TRP 8 HB2 TRP 8 -4.955 4.177 -9.541 69 HD1 TRP 8 HD1 TRP 8 -3.437 3.714 -6.001 70 HE1 TRP 8 HE1 TRP 8 -4.307 5.628 -4.507 71 HE3 TRP 8 HE3 TRP 8 -6.278 6.262 -9.394 72 HZ2 TRP 8 HZ2 TRP 8 -5.986 7.934 -4.724 73 HZ3 TRP 8 HZ3 TRP 8 -7.499 8.313 -8.726 74 HH2 TRP 8 HH2 TRP 8 -7.358 9.151 -6.396 75 H GLU 9 H GLU 9 -3.511 0.898 -10.005 76 HA GLU 9 HA GLU 9 -2.012 -0.740 -8.246 77 HB2 GLU 9 HB3 GLU 9 -2.324 -1.194 -10.677 78 HB3 GLU 9 HB2 GLU 9 -1.229 0.141 -11.042 79 HG2 GLU 9 HG2 GLU 9 0.569 -0.986 -9.783 80 HG3 GLU 9 HG3 GLU 9 -0.522 -2.321 -9.419 81 H CYS 10 H CYS 10 0.020 -0.508 -7.303 82 HA CYS 10 HA CYS 10 1.111 2.254 -7.297 83 HB2 CYS 10 HB3 CYS 10 2.593 1.084 -5.437 84 HB3 CYS 10 HB2 CYS 10 0.939 1.582 -5.082 85 HG CYS 10 HG CYS 10 1.826 -1.359 -5.630 86 HA PRO 11 HA PRO 11 4.238 0.759 -10.107 87 HB2 PRO 11 HB3 PRO 11 5.603 3.111 -10.326 88 HB3 PRO 11 HB2 PRO 11 4.060 2.810 -11.146 89 HG2 PRO 11 HG3 PRO 11 4.618 4.359 -8.673 90 HG3 PRO 11 HG2 PRO 11 3.462 4.684 -9.975 91 HD2 PRO 11 HD3 PRO 11 2.756 3.579 -7.543 92 HD3 PRO 11 HD2 PRO 11 1.830 3.332 -9.039 93 H ALA 12 H ALA 12 5.008 2.493 -7.113 94 HA ALA 12 HA ALA 12 7.816 1.878 -7.100 95 HB1 ALA 12 HB1 ALA 12 7.173 3.604 -5.628 96 HB2 ALA 12 HB2 ALA 12 7.490 2.245 -4.549 97 HB3 ALA 12 HB3 ALA 12 5.831 2.667 -4.972 98 H LEU 13 H LEU 13 4.956 0.197 -5.846 99 HA LEU 13 HA LEU 13 6.596 -1.934 -4.662 100 HB2 LEU 13 HB2 LEU 13 3.628 -1.458 -4.944 101 HB3 LEU 13 HB3 LEU 13 4.258 -3.001 -4.369 102 HG LEU 13 HG LEU 13 5.294 -1.992 -2.477 103 HD11 LEU 13 HD11 LEU 13 4.749 0.613 -3.922 104 HD12 LEU 13 HD12 LEU 13 6.313 -0.059 -3.459 105 HD13 LEU 13 HD13 LEU 13 5.212 0.545 -2.222 106 HD21 LEU 13 HD21 LEU 13 2.903 -2.223 -2.158 107 HD22 LEU 13 HD22 LEU 13 2.597 -0.711 -3.013 108 HD23 LEU 13 HD23 LEU 13 3.396 -0.688 -1.441 109 HA PRO 14 HA PRO 14 7.003 -4.722 -8.029 110 HB2 PRO 14 HB3 PRO 14 5.547 -6.743 -6.382 111 HB3 PRO 14 HB2 PRO 14 7.132 -6.859 -7.170 112 HG2 PRO 14 HG3 PRO 14 6.887 -6.508 -4.533 113 HG3 PRO 14 HG2 PRO 14 8.213 -5.787 -5.462 114 HD2 PRO 14 HD3 PRO 14 5.826 -4.465 -4.266 115 HD3 PRO 14 HD2 PRO 14 7.439 -3.809 -4.617 116 H GLN 15 H GLN 15 5.760 -5.777 -9.717 117 HA GLN 15 HA GLN 15 3.236 -4.635 -10.287 118 HB2 GLN 15 HB3 GLN 15 3.040 -6.653 -11.898 119 HB3 GLN 15 HB2 GLN 15 4.404 -5.557 -12.127 120 HG2 GLN 15 HG2 GLN 15 5.901 -7.053 -10.984 121 HG3 GLN 15 HG3 GLN 15 4.565 -8.075 -10.455 122 HE21 GLN 15 HE21 GLN 15 6.933 -8.768 -12.222 123 HE22 GLN 15 HE22 GLN 15 6.248 -9.376 -13.652 124 H GLY 16 H GLY 16 1.276 -5.029 -9.391 125 HA2 GLY 16 HA2 GLY 16 -0.412 -6.890 -9.000 126 HA3 GLY 16 HA3 GLY 16 0.858 -7.680 -8.064 127 H TRP 17 H TRP 17 1.830 -5.217 -6.840 128 HA TRP 17 HA TRP 17 0.001 -5.088 -4.601 129 HB2 TRP 17 HB3 TRP 17 2.415 -3.407 -5.335 130 HB3 TRP 17 HB2 TRP 17 1.546 -3.273 -3.806 131 HD1 TRP 17 HD1 TRP 17 3.312 -6.011 -5.895 132 HE1 TRP 17 HE1 TRP 17 4.404 -7.681 -4.263 133 HE3 TRP 17 HE3 TRP 17 1.754 -4.047 -1.446 134 HZ2 TRP 17 HZ2 TRP 17 4.592 -8.126 -1.443 135 HZ3 TRP 17 HZ3 TRP 17 2.403 -5.112 0.695 136 HH2 TRP 17 HH2 TRP 17 3.819 -7.147 0.702 137 H GLU 18 H GLU 18 -1.285 -3.281 -3.951 138 HA GLU 18 HA GLU 18 -1.660 -1.108 -5.932 139 HB2 GLU 18 HB3 GLU 18 -3.980 -2.776 -4.922 140 HB3 GLU 18 HB2 GLU 18 -4.048 -1.468 -6.103 141 HG2 GLU 18 HG2 GLU 18 -2.565 -2.795 -7.606 142 HG3 GLU 18 HG3 GLU 18 -2.622 -4.122 -6.446 143 H ARG 19 H ARG 19 -2.880 0.709 -5.014 144 HA ARG 19 HA ARG 19 -3.306 0.590 -2.073 145 HB2 ARG 19 HB3 ARG 19 -2.072 2.666 -1.722 146 HB3 ARG 19 HB2 ARG 19 -1.008 1.485 -2.487 147 HG2 ARG 19 HG3 ARG 19 -1.437 2.498 -4.686 148 HG3 ARG 19 HG2 ARG 19 -2.530 3.666 -3.944 149 HD2 ARG 19 HD3 ARG 19 -0.643 4.486 -2.536 150 HD3 ARG 19 HD2 ARG 19 0.436 3.380 -3.384 151 HE ARG 19 HE ARG 19 -0.487 4.725 -5.488 152 HH11 ARG 19 HH21 ARG 19 0.253 5.846 -2.313 153 HH12 ARG 19 HH22 ARG 19 0.672 7.445 -2.830 154 HH21 ARG 19 HH11 ARG 19 0.055 6.807 -6.182 155 HH22 ARG 19 HH12 ARG 19 0.561 7.988 -5.021 156 H GLU 20 H GLU 20 -4.932 2.024 -1.359 157 HA GLU 20 HA GLU 20 -6.265 3.640 -3.489 158 HB2 GLU 20 HB3 GLU 20 -8.436 2.904 -2.734 159 HB3 GLU 20 HB2 GLU 20 -7.461 1.462 -3.024 160 HG2 GLU 20 HG2 GLU 20 -6.896 1.398 -0.596 161 HG3 GLU 20 HG3 GLU 20 -7.972 2.771 -0.337 162 H GLU 21 H GLU 21 -7.084 5.625 -2.785 163 HA GLU 21 HA GLU 21 -6.311 6.415 -0.024 164 HB2 GLU 21 HB3 GLU 21 -5.543 7.811 -1.952 165 HB3 GLU 21 HB2 GLU 21 -7.230 8.150 -2.337 166 HG2 GLU 21 HG2 GLU 21 -7.538 9.132 -0.083 167 HG3 GLU 21 HG3 GLU 21 -5.836 8.827 0.270 168 H VAL 22 H VAL 22 -7.851 6.987 1.488 169 HA VAL 22 HA VAL 22 -10.668 7.289 0.597 170 HB VAL 22 HB VAL 22 -9.838 5.396 2.816 171 HG11 VAL 22 HG21 VAL 22 -12.224 4.719 2.697 172 HG12 VAL 22 HG22 VAL 22 -12.504 5.970 1.485 173 HG13 VAL 22 HG23 VAL 22 -12.047 6.420 3.127 174 HG21 VAL 22 HG13 VAL 22 -10.626 3.625 1.226 175 HG22 VAL 22 HG11 VAL 22 -9.180 4.462 0.661 176 HG23 VAL 22 HG12 VAL 22 -10.755 4.858 -0.028 177 HA PRO 23 HA PRO 23 -9.746 10.651 3.549 178 HB2 PRO 23 HB3 PRO 23 -12.444 11.411 2.547 179 HB3 PRO 23 HB2 PRO 23 -10.968 12.388 2.670 180 HG2 PRO 23 HG3 PRO 23 -11.835 11.522 0.321 181 HG3 PRO 23 HG2 PRO 23 -10.106 11.578 0.697 182 HD2 PRO 23 HD3 PRO 23 -11.918 9.192 0.603 183 HD3 PRO 23 HD2 PRO 23 -10.213 9.345 0.125 184 H ARG 24 H ARG 24 -10.371 10.732 5.691 185 HA ARG 24 HA ARG 24 -12.894 9.297 6.424 186 HB2 ARG 24 HB3 ARG 24 -11.642 9.004 8.684 187 HB3 ARG 24 HB2 ARG 24 -11.161 7.979 7.332 188 HG2 ARG 24 HG3 ARG 24 -9.325 9.537 6.796 189 HG3 ARG 24 HG2 ARG 24 -9.803 10.566 8.148 190 HD2 ARG 24 HD3 ARG 24 -9.366 8.734 9.723 191 HD3 ARG 24 HD2 ARG 24 -8.935 7.669 8.385 192 HE ARG 24 HE ARG 24 -7.287 9.978 8.220 193 HH11 ARG 24 HH21 ARG 24 -7.931 7.264 10.248 194 HH12 ARG 24 HH22 ARG 24 -6.315 7.173 10.865 195 HH21 ARG 24 HH11 ARG 24 -5.173 9.874 9.014 196 HH22 ARG 24 HH12 ARG 24 -4.753 8.650 10.165 197 H ARG 25 H ARG 25 -14.152 11.230 6.405 198 HA ARG 25 HA ARG 25 -13.311 13.430 8.201 199 HB2 ARG 25 HB3 ARG 25 -15.277 14.609 7.319 200 HB3 ARG 25 HB2 ARG 25 -14.306 13.972 5.991 201 HG2 ARG 25 HG3 ARG 25 -15.800 12.040 5.790 202 HG3 ARG 25 HG2 ARG 25 -16.752 12.613 7.160 203 HD2 ARG 25 HD3 ARG 25 -17.345 14.650 5.925 204 HD3 ARG 25 HD2 ARG 25 -16.357 14.126 4.561 205 HE ARG 25 HE ARG 25 -18.082 12.624 3.951 206 HH11 ARG 25 HH21 ARG 25 -18.467 13.855 7.149 207 HH12 ARG 25 HH22 ARG 25 -20.050 13.184 7.358 208 HH21 ARG 25 HH11 ARG 25 -20.147 11.742 4.206 209 HH22 ARG 25 HH12 ARG 25 -21.001 11.988 5.694 210 H SER 26 H SER 26 -14.262 10.620 9.042 211 HA SER 26 HA SER 26 -16.281 11.603 11.007 212 HB2 SER 26 HB3 SER 26 -16.381 8.922 9.592 213 HB3 SER 26 HB2 SER 26 -17.525 9.506 10.797 214 HG SER 26 HG SER 26 -17.335 11.378 8.964 215 H GLY 27 H GLY 27 -15.283 11.426 12.954 216 HA2 GLY 27 HA2 GLY 27 -14.618 9.170 14.327 217 HA3 GLY 27 HA3 GLY 27 -13.160 9.438 13.371 218 H LEU 28 H LEU 28 -12.270 9.685 15.668 219 HA LEU 28 HA LEU 28 -12.927 12.170 17.063 220 HB2 LEU 28 HB2 LEU 28 -10.711 10.137 17.449 221 HB3 LEU 28 HB3 LEU 28 -10.964 11.530 18.501 222 HG LEU 28 HG LEU 28 -13.046 9.398 17.944 223 HD11 LEU 28 HD11 LEU 28 -11.135 9.822 20.253 224 HD12 LEU 28 HD12 LEU 28 -11.312 8.381 19.250 225 HD13 LEU 28 HD13 LEU 28 -12.586 8.829 20.384 226 HD21 LEU 28 HD21 LEU 28 -12.971 11.954 19.495 227 HD22 LEU 28 HD22 LEU 28 -13.875 10.603 20.179 228 HD23 LEU 28 HD23 LEU 28 -14.300 11.233 18.587 229 H SER 29 H SER 29 -10.070 10.951 15.278 230 HA SER 29 HA SER 29 -9.052 13.735 15.120 231 HB2 SER 29 HB3 SER 29 -7.010 12.660 14.178 232 HB3 SER 29 HB2 SER 29 -7.432 12.020 15.764 233 HG SER 29 HG SER 29 -6.974 10.567 13.781 234 H ALA 30 H ALA 30 -11.414 12.610 13.573 235 HA ALA 30 HA ALA 30 -10.944 12.083 10.899 236 HB1 ALA 30 HB1 ALA 30 -12.975 14.104 11.896 237 HB2 ALA 30 HB2 ALA 30 -13.205 12.356 11.951 238 HB3 ALA 30 HB3 ALA 30 -13.059 13.177 10.397 239 H GLY 31 H GLY 31 -11.166 13.723 9.021 240 HA2 GLY 31 HA2 GLY 31 -10.717 16.041 8.277 241 HA3 GLY 31 HA3 GLY 31 -9.611 16.199 9.642 242 H HIS 32 H HIS 32 -8.472 13.502 9.224 243 HA HIS 32 HA HIS 32 -6.646 14.243 7.001 244 HB2 HIS 32 HB2 HIS 32 -6.437 12.238 9.260 245 HB3 HIS 32 HB3 HIS 32 -5.253 12.343 7.956 246 HD1 HIS 32 HD1 HIS 32 -5.114 13.216 11.185 247 HD2 HIS 32 HD2 HIS 32 -5.014 15.650 7.800 248 HE1 HIS 32 HE1 HIS 32 -4.002 15.381 11.891 249 HE2 HIS 32 HE2 HIS 32 -3.934 16.869 9.838 250 H ARG 33 H ARG 33 -5.788 12.171 5.786 251 HA ARG 33 HA ARG 33 -8.171 10.508 5.065 252 HB2 ARG 33 HB3 ARG 33 -7.177 10.368 2.787 253 HB3 ARG 33 HB2 ARG 33 -7.561 12.029 3.244 254 HG2 ARG 33 HG3 ARG 33 -5.199 12.362 3.939 255 HG3 ARG 33 HG2 ARG 33 -4.828 10.723 3.406 256 HD2 ARG 33 HD3 ARG 33 -5.536 11.304 1.114 257 HD3 ARG 33 HD2 ARG 33 -5.908 12.944 1.644 258 HE ARG 33 HE ARG 33 -3.574 13.407 1.727 259 HH11 ARG 33 HH21 ARG 33 -4.293 10.071 1.237 260 HH12 ARG 33 HH22 ARG 33 -2.664 9.642 0.837 261 HH21 ARG 33 HH11 ARG 33 -1.441 12.865 1.206 262 HH22 ARG 33 HH12 ARG 33 -1.049 11.223 0.819 263 H ASP 34 H ASP 34 -7.870 8.296 5.027 264 HA ASP 34 HA ASP 34 -5.181 7.333 5.885 265 HB2 ASP 34 HB2 ASP 34 -7.143 6.787 7.338 266 HB3 ASP 34 HB3 ASP 34 -7.849 5.893 5.991 267 H VAL 35 H VAL 35 -4.020 6.005 4.543 268 HA VAL 35 HA VAL 35 -5.347 5.171 1.997 269 HB VAL 35 HB VAL 35 -2.399 5.554 2.608 270 HG11 VAL 35 HG21 VAL 35 -2.134 5.281 0.161 271 HG12 VAL 35 HG22 VAL 35 -3.861 4.945 0.020 272 HG13 VAL 35 HG23 VAL 35 -2.815 3.831 0.901 273 HG21 VAL 35 HG13 VAL 35 -4.350 7.217 0.981 274 HG22 VAL 35 HG11 VAL 35 -2.618 7.518 1.114 275 HG23 VAL 35 HG12 VAL 35 -3.652 7.677 2.533 276 H PHE 36 H PHE 36 -5.493 3.005 1.564 277 HA PHE 36 HA PHE 36 -4.161 1.157 3.500 278 HB2 PHE 36 HB3 PHE 36 -6.695 0.804 1.872 279 HB3 PHE 36 HB2 PHE 36 -5.980 -0.446 2.890 280 HD1 PHE 36 HD1 PHE 36 -5.986 -0.253 5.328 281 HD2 PHE 36 HD2 PHE 36 -7.746 2.782 2.851 282 HE1 PHE 36 HE1 PHE 36 -7.125 0.706 7.313 283 HE2 PHE 36 HE2 PHE 36 -8.885 3.742 4.834 284 HZ PHE 36 HZ PHE 36 -8.574 2.703 7.065 285 H TYR 37 H TYR 37 -2.949 -0.558 2.680 286 HA TYR 37 HA TYR 37 -2.577 -0.561 -0.289 287 HB2 TYR 37 HB3 TYR 37 -0.634 -1.187 1.950 288 HB3 TYR 37 HB2 TYR 37 -0.297 -1.513 0.250 289 HD1 TYR 37 HD2 TYR 37 -1.311 1.232 2.580 290 HD2 TYR 37 HD1 TYR 37 0.562 0.178 -1.138 291 HE1 TYR 37 HE2 TYR 37 -0.617 3.592 2.262 292 HE2 TYR 37 HE1 TYR 37 1.256 2.539 -1.457 293 HH TYR 37 HH TYR 37 1.385 4.559 -0.515 294 H TYR 38 H TYR 38 -2.605 -2.564 -1.346 295 HA TYR 38 HA TYR 38 -3.322 -4.912 0.367 296 HB2 TYR 38 HB3 TYR 38 -4.364 -4.258 -2.407 297 HB3 TYR 38 HB2 TYR 38 -4.804 -5.667 -1.442 298 HD1 TYR 38 HD2 TYR 38 -5.936 -5.306 0.808 299 HD2 TYR 38 HD1 TYR 38 -5.441 -2.169 -2.083 300 HE1 TYR 38 HE2 TYR 38 -7.696 -3.979 1.945 301 HE2 TYR 38 HE1 TYR 38 -7.199 -0.841 -0.946 302 HH TYR 38 HH TYR 38 -8.274 -1.463 2.121 303 H SER 39 H SER 39 -2.105 -6.728 0.013 304 HA SER 39 HA SER 39 -0.064 -6.588 -2.146 305 HB2 SER 39 HB3 SER 39 1.306 -7.692 -0.718 306 HB3 SER 39 HB2 SER 39 0.104 -7.338 0.520 307 HG SER 39 HG SER 39 -0.682 -9.334 0.347 308 HA PRO 40 HA PRO 40 -1.505 -9.888 -4.673 309 HB2 PRO 40 HB3 PRO 40 0.518 -11.796 -3.599 310 HB3 PRO 40 HB2 PRO 40 0.209 -11.303 -5.275 311 HG2 PRO 40 HG3 PRO 40 2.329 -10.411 -3.954 312 HG3 PRO 40 HG2 PRO 40 1.437 -9.370 -5.076 313 HD2 PRO 40 HD3 PRO 40 1.406 -9.364 -2.076 314 HD3 PRO 40 HD2 PRO 40 1.267 -7.991 -3.195 315 H SER 41 H SER 41 -0.914 -10.831 -1.321 316 HA SER 41 HA SER 41 -2.762 -13.115 -1.504 317 HB2 SER 41 HB3 SER 41 -2.256 -13.431 0.871 318 HB3 SER 41 HB2 SER 41 -0.759 -13.193 -0.028 319 HG SER 41 HG SER 41 -1.765 -10.823 0.719 320 H GLY 42 H GLY 42 -3.327 -9.949 -1.592 321 HA2 GLY 42 HA2 GLY 42 -5.297 -8.721 -1.187 322 HA3 GLY 42 HA3 GLY 42 -6.027 -10.201 -0.562 323 H LYS 43 H LYS 43 -3.065 -9.623 0.938 324 HA LYS 43 HA LYS 43 -4.293 -9.152 3.499 325 HB2 LYS 43 HB3 LYS 43 -2.009 -10.227 3.024 326 HB3 LYS 43 HB2 LYS 43 -1.402 -8.584 2.816 327 HG2 LYS 43 HG3 LYS 43 -2.970 -8.659 5.210 328 HG3 LYS 43 HG2 LYS 43 -1.825 -10.000 5.257 329 HD2 LYS 43 HD3 LYS 43 -1.034 -7.158 4.570 330 HD3 LYS 43 HD2 LYS 43 -0.930 -7.830 6.198 331 HE2 LYS 43 HE3 LYS 43 0.399 -9.764 5.015 332 HE3 LYS 43 HE2 LYS 43 0.645 -8.563 3.747 333 HZ1 LYS 43 HZ1 LYS 43 1.956 -7.306 5.061 334 HZ2 LYS 43 HZ2 LYS 43 2.234 -8.785 5.848 335 HZ3 LYS 43 HZ3 LYS 43 1.108 -7.681 6.480 336 H LYS 44 H LYS 44 -4.907 -7.240 4.398 337 HA LYS 44 HA LYS 44 -4.175 -4.736 2.969 338 HB2 LYS 44 HB3 LYS 44 -6.052 -3.724 4.065 339 HB3 LYS 44 HB2 LYS 44 -6.598 -5.309 3.514 340 HG2 LYS 44 HG3 LYS 44 -6.066 -6.218 5.792 341 HG3 LYS 44 HG2 LYS 44 -5.709 -4.572 6.317 342 HD2 LYS 44 HD3 LYS 44 -8.002 -3.881 5.710 343 HD3 LYS 44 HD2 LYS 44 -8.361 -5.532 5.201 344 HE2 LYS 44 HE3 LYS 44 -7.671 -6.243 7.569 345 HE3 LYS 44 HE2 LYS 44 -7.759 -4.533 7.988 346 HZ1 LYS 44 HZ1 LYS 44 -9.945 -6.235 6.930 347 HZ2 LYS 44 HZ2 LYS 44 -10.055 -4.547 7.085 348 HZ3 LYS 44 HZ3 LYS 44 -9.853 -5.517 8.465 349 H PHE 45 H PHE 45 -2.755 -3.313 3.876 350 HA PHE 45 HA PHE 45 -2.259 -3.456 6.804 351 HB2 PHE 45 HB3 PHE 45 0.223 -3.317 6.326 352 HB3 PHE 45 HB2 PHE 45 -0.516 -4.863 5.906 353 HD1 PHE 45 HD1 PHE 45 -1.303 -5.196 3.474 354 HD2 PHE 45 HD2 PHE 45 1.362 -2.056 4.692 355 HE1 PHE 45 HE1 PHE 45 -0.556 -4.921 1.126 356 HE2 PHE 45 HE2 PHE 45 2.108 -1.779 2.343 357 HZ PHE 45 HZ PHE 45 1.150 -3.212 0.560 358 H ARG 46 H ARG 46 -1.491 -1.465 7.675 359 HA ARG 46 HA ARG 46 -1.374 0.811 5.743 360 HB2 ARG 46 HB3 ARG 46 -2.545 2.170 7.548 361 HB3 ARG 46 HB2 ARG 46 -3.551 0.967 6.741 362 HG2 ARG 46 HG3 ARG 46 -3.181 -0.612 8.587 363 HG3 ARG 46 HG2 ARG 46 -2.138 0.560 9.393 364 HD2 ARG 46 HD3 ARG 46 -4.031 2.144 9.533 365 HD3 ARG 46 HD2 ARG 46 -5.075 0.960 8.747 366 HE ARG 46 HE ARG 46 -4.104 0.833 11.525 367 HH11 ARG 46 HH21 ARG 46 -5.547 -0.707 8.798 368 HH12 ARG 46 HH22 ARG 46 -6.290 -1.962 9.733 369 HH21 ARG 46 HH11 ARG 46 -5.065 -0.797 12.761 370 HH22 ARG 46 HH12 ARG 46 -6.017 -2.012 11.977 371 H SER 47 H SER 47 0.946 -0.343 6.575 372 HA SER 47 HA SER 47 2.164 1.814 8.136 373 HB2 SER 47 HB3 SER 47 1.189 -0.167 9.676 374 HB3 SER 47 HB2 SER 47 2.742 -0.887 9.256 375 HG SER 47 HG SER 47 2.145 1.329 10.807 376 H LYS 48 H LYS 48 4.389 1.948 7.720 377 HA LYS 48 HA LYS 48 5.380 0.706 5.358 378 HB2 LYS 48 HB3 LYS 48 6.267 2.682 7.173 379 HB3 LYS 48 HB2 LYS 48 7.536 1.458 7.132 380 HG2 LYS 48 HG3 LYS 48 7.693 1.607 4.722 381 HG3 LYS 48 HG2 LYS 48 6.287 2.671 4.652 382 HD2 LYS 48 HD3 LYS 48 7.563 4.320 6.072 383 HD3 LYS 48 HD2 LYS 48 8.984 3.292 5.883 384 HE2 LYS 48 HE3 LYS 48 8.983 3.596 3.495 385 HE3 LYS 48 HE2 LYS 48 7.415 4.401 3.544 386 HZ1 LYS 48 HZ1 LYS 48 9.835 5.630 3.634 387 HZ2 LYS 48 HZ2 LYS 48 9.352 5.625 5.263 388 HZ3 LYS 48 HZ3 LYS 48 8.356 6.328 4.081 389 HA PRO 49 HA PRO 49 7.816 -2.107 8.610 390 HB2 PRO 49 HB3 PRO 49 5.602 -2.252 10.600 391 HB3 PRO 49 HB2 PRO 49 7.354 -2.195 10.863 392 HG2 PRO 49 HG3 PRO 49 5.845 -0.076 11.345 393 HG3 PRO 49 HG2 PRO 49 7.453 0.094 10.623 394 HD2 PRO 49 HD3 PRO 49 4.764 0.280 9.279 395 HD3 PRO 49 HD2 PRO 49 6.239 1.215 8.953 396 H GLN 50 H GLN 50 4.266 -2.269 8.327 397 HA GLN 50 HA GLN 50 4.123 -5.143 8.276 398 HB2 GLN 50 HB3 GLN 50 2.248 -3.019 7.196 399 HB3 GLN 50 HB2 GLN 50 1.862 -4.739 7.248 400 HG2 GLN 50 HG2 GLN 50 2.615 -3.071 9.666 401 HG3 GLN 50 HG3 GLN 50 0.964 -3.502 9.220 402 HE21 GLN 50 HE21 GLN 50 2.837 -4.352 11.567 403 HE22 GLN 50 HE22 GLN 50 2.708 -6.045 11.573 404 H LEU 51 H LEU 51 4.483 -2.676 5.753 405 HA LEU 51 HA LEU 51 4.163 -4.397 3.501 406 HB2 LEU 51 HB2 LEU 51 4.213 -1.949 3.284 407 HB3 LEU 51 HB3 LEU 51 5.901 -1.926 3.799 408 HG LEU 51 HG LEU 51 6.534 -3.272 1.844 409 HD11 LEU 51 HD11 LEU 51 4.715 -4.640 1.330 410 HD12 LEU 51 HD12 LEU 51 4.605 -3.423 0.058 411 HD13 LEU 51 HD13 LEU 51 3.554 -3.320 1.471 412 HD21 LEU 51 HD21 LEU 51 4.771 -1.040 0.830 413 HD22 LEU 51 HD22 LEU 51 6.357 -1.544 0.239 414 HD23 LEU 51 HD23 LEU 51 6.217 -0.696 1.780 415 H ALA 52 H ALA 52 7.087 -3.483 5.336 416 HA ALA 52 HA ALA 52 8.874 -5.088 3.740 417 HB1 ALA 52 HB1 ALA 52 9.038 -3.813 6.465 418 HB2 ALA 52 HB2 ALA 52 9.955 -3.428 5.007 419 HB3 ALA 52 HB3 ALA 52 10.312 -4.900 5.911 420 H ARG 53 H ARG 53 7.078 -5.686 6.751 421 HA ARG 53 HA ARG 53 8.178 -8.181 7.454 422 HB2 ARG 53 HB3 ARG 53 6.496 -6.941 8.811 423 HB3 ARG 53 HB2 ARG 53 5.257 -7.383 7.635 424 HG2 ARG 53 HG3 ARG 53 5.676 -9.769 8.071 425 HG3 ARG 53 HG2 ARG 53 6.934 -9.340 9.233 426 HD2 ARG 53 HD3 ARG 53 5.275 -8.171 10.620 427 HD3 ARG 53 HD2 ARG 53 4.012 -8.554 9.451 428 HE ARG 53 HE ARG 53 5.282 -10.467 11.315 429 HH11 ARG 53 HH21 ARG 53 3.222 -9.797 8.634 430 HH12 ARG 53 HH22 ARG 53 2.379 -11.306 8.734 431 HH21 ARG 53 HH11 ARG 53 4.194 -12.442 11.463 432 HH22 ARG 53 HH12 ARG 53 2.929 -12.805 10.336 433 H TYR 54 H TYR 54 5.528 -7.482 5.167 434 HA TYR 54 HA TYR 54 5.056 -10.227 4.462 435 HB2 TYR 54 HB3 TYR 54 3.465 -8.368 3.979 436 HB3 TYR 54 HB2 TYR 54 4.597 -7.745 2.778 437 HD1 TYR 54 HD2 TYR 54 5.108 -9.050 0.731 438 HD2 TYR 54 HD1 TYR 54 2.138 -10.341 3.554 439 HE1 TYR 54 HE2 TYR 54 4.192 -10.626 -0.951 440 HE2 TYR 54 HE1 TYR 54 1.223 -11.916 1.872 441 HH TYR 54 HH TYR 54 2.447 -11.970 -1.451 442 H LEU 55 H LEU 55 6.976 -7.665 2.863 443 HA LEU 55 HA LEU 55 8.070 -9.577 0.935 444 HB2 LEU 55 HB2 LEU 55 8.762 -6.692 1.561 445 HB3 LEU 55 HB3 LEU 55 9.501 -7.625 0.258 446 HG LEU 55 HG LEU 55 6.514 -7.190 0.537 447 HD11 LEU 55 HD11 LEU 55 8.640 -5.686 -0.993 448 HD12 LEU 55 HD12 LEU 55 7.385 -5.037 0.064 449 HD13 LEU 55 HD13 LEU 55 6.956 -5.690 -1.517 450 HD21 LEU 55 HD21 LEU 55 6.845 -7.801 -2.018 451 HD22 LEU 55 HD22 LEU 55 6.762 -9.077 -0.804 452 HD23 LEU 55 HD23 LEU 55 8.326 -8.555 -1.427 453 H GLY 56 H GLY 56 8.595 -9.265 4.125 454 HA2 GLY 56 HA2 GLY 56 10.357 -9.903 5.538 455 HA3 GLY 56 HA3 GLY 56 11.034 -10.733 4.136 456 H GLY 57 H GLY 57 12.209 -9.293 2.545 457 HA2 GLY 57 HA2 GLY 57 13.057 -6.659 3.159 458 HA3 GLY 57 HA3 GLY 57 14.221 -7.770 3.884 459 H SER 58 H SER 58 12.436 -8.292 0.867 460 HA SER 58 HA SER 58 15.032 -8.657 -0.514 461 HB2 SER 58 HB3 SER 58 13.737 -9.700 -2.280 462 HB3 SER 58 HB2 SER 58 13.186 -10.351 -0.738 463 HG SER 58 HG SER 58 11.776 -8.186 -1.169 464 H MET 59 H MET 59 13.292 -6.048 0.186 465 HA MET 59 HA MET 59 14.080 -4.688 -2.328 466 HB2 MET 59 HB3 MET 59 11.283 -4.645 -1.159 467 HB3 MET 59 HB2 MET 59 11.854 -3.507 -2.381 468 HG2 MET 59 HG3 MET 59 12.323 -5.354 -3.921 469 HG3 MET 59 HG2 MET 59 11.833 -6.523 -2.697 470 HE1 MET 59 HE1 MET 59 9.662 -2.983 -3.765 471 HE2 MET 59 HE2 MET 59 9.608 -3.749 -5.352 472 HE3 MET 59 HE3 MET 59 11.157 -3.515 -4.546 473 H ASP 60 H ASP 60 14.772 -2.587 -1.950 474 HA ASP 60 HA ASP 60 15.112 -1.795 0.848 475 HB2 ASP 60 HB2 ASP 60 16.297 0.170 -0.142 476 HB3 ASP 60 HB3 ASP 60 16.923 -1.369 -0.734 477 H LEU 61 H LEU 61 13.071 -1.257 1.674 478 HA LEU 61 HA LEU 61 11.429 0.707 0.174 479 HB2 LEU 61 HB2 LEU 61 10.856 -0.793 2.748 480 HB3 LEU 61 HB3 LEU 61 9.711 0.231 1.882 481 HG LEU 61 HG LEU 61 11.047 -2.233 0.722 482 HD11 LEU 61 HD11 LEU 61 8.375 -1.759 2.032 483 HD12 LEU 61 HD12 LEU 61 9.514 -3.080 2.294 484 HD13 LEU 61 HD13 LEU 61 8.562 -3.018 0.811 485 HD21 LEU 61 HD21 LEU 61 9.144 -0.153 -0.313 486 HD22 LEU 61 HD22 LEU 61 9.007 -1.808 -0.907 487 HD23 LEU 61 HD23 LEU 61 10.512 -0.916 -1.125 488 H SER 62 H SER 62 13.931 0.799 2.343 489 HA SER 62 HA SER 62 13.168 2.637 4.337 490 HB2 SER 62 HB3 SER 62 15.400 1.554 4.222 491 HB3 SER 62 HB2 SER 62 15.802 2.558 2.833 492 HG SER 62 HG SER 62 14.984 4.261 4.550 493 H THR 63 H THR 63 13.782 3.150 0.918 494 HA THR 63 HA THR 63 13.393 6.083 1.316 495 HB THR 63 HB THR 63 14.364 6.355 -0.910 496 HG1 THR 63 HG1 THR 63 14.863 3.600 -1.018 497 HG21 THR 63 HG21 THR 63 16.059 6.315 0.717 498 HG22 THR 63 HG22 THR 63 16.601 5.110 -0.452 499 HG23 THR 63 HG23 THR 63 15.827 4.599 1.048 500 H PHE 64 H PHE 64 11.367 3.739 1.125 501 HA PHE 64 HA PHE 64 9.885 4.469 -1.318 502 HB2 PHE 64 HB3 PHE 64 9.784 2.147 -0.804 503 HB3 PHE 64 HB2 PHE 64 9.426 2.461 0.893 504 HD1 PHE 64 HD2 PHE 64 8.022 3.620 -2.396 505 HD2 PHE 64 HD1 PHE 64 7.240 1.937 1.479 506 HE1 PHE 64 HE2 PHE 64 5.593 3.587 -2.900 507 HE2 PHE 64 HE1 PHE 64 4.812 1.902 0.974 508 HZ PHE 64 HZ PHE 64 3.989 2.728 -1.215 509 H ASP 65 H ASP 65 8.383 6.070 -1.326 510 HA ASP 65 HA ASP 65 7.682 7.419 1.174 511 HB2 ASP 65 HB2 ASP 65 6.777 7.854 -1.689 512 HB3 ASP 65 HB3 ASP 65 6.332 8.894 -0.335 513 H PHE 66 H PHE 66 6.132 6.551 2.463 514 HA PHE 66 HA PHE 66 4.109 4.732 1.393 515 HB2 PHE 66 HB3 PHE 66 5.138 4.489 3.678 516 HB3 PHE 66 HB2 PHE 66 4.279 5.951 4.164 517 HD1 PHE 66 HD1 PHE 66 3.909 2.426 3.126 518 HD2 PHE 66 HD2 PHE 66 1.870 5.960 4.471 519 HE1 PHE 66 HE1 PHE 66 1.870 1.083 3.563 520 HE2 PHE 66 HE2 PHE 66 -0.169 4.617 4.907 521 HZ PHE 66 HZ PHE 66 -0.169 2.179 4.454 522 H ARG 67 H ARG 67 4.152 8.039 2.713 523 HA ARG 67 HA ARG 67 1.328 8.467 2.604 524 HB2 ARG 67 HB3 ARG 67 3.517 10.533 2.232 525 HB3 ARG 67 HB2 ARG 67 1.859 10.837 2.751 526 HG2 ARG 67 HG3 ARG 67 3.748 9.022 4.269 527 HG3 ARG 67 HG2 ARG 67 3.578 10.743 4.625 528 HD2 ARG 67 HD3 ARG 67 1.088 10.341 4.880 529 HD3 ARG 67 HD2 ARG 67 1.430 8.613 4.782 530 HE ARG 67 HE ARG 67 2.131 10.390 7.033 531 HH11 ARG 67 HH21 ARG 67 2.422 7.367 5.403 532 HH12 ARG 67 HH22 ARG 67 2.964 6.510 6.808 533 HH21 ARG 67 HH11 ARG 67 2.836 9.291 8.877 534 HH22 ARG 67 HH12 ARG 67 3.200 7.600 8.774 535 H THR 68 H THR 68 3.896 8.968 0.197 536 HA THR 68 HA THR 68 1.843 9.797 -1.786 537 HB THR 68 HB THR 68 3.677 10.525 -3.159 538 HG1 THR 68 HG1 THR 68 4.951 8.601 -2.557 539 HG21 THR 68 HG21 THR 68 4.439 11.116 -0.289 540 HG22 THR 68 HG22 THR 68 3.122 11.917 -1.147 541 HG23 THR 68 HG23 THR 68 4.784 12.111 -1.701 542 H GLY 69 H GLY 69 3.555 7.030 -0.766 543 HA2 GLY 69 HA2 GLY 69 3.661 4.859 -1.649 544 HA3 GLY 69 HA3 GLY 69 2.310 5.323 -2.684 545 H LYS 70 H LYS 70 5.555 6.771 -2.580 546 HA LYS 70 HA LYS 70 5.984 5.759 -5.361 547 HB2 LYS 70 HB3 LYS 70 6.521 8.541 -4.280 548 HB3 LYS 70 HB2 LYS 70 7.089 7.963 -5.846 549 HG2 LYS 70 HG3 LYS 70 4.767 7.532 -6.542 550 HG3 LYS 70 HG2 LYS 70 4.188 8.088 -4.972 551 HD2 LYS 70 HD3 LYS 70 5.154 10.315 -5.391 552 HD3 LYS 70 HD2 LYS 70 5.756 9.763 -6.955 553 HE2 LYS 70 HE3 LYS 70 3.455 9.320 -7.701 554 HE3 LYS 70 HE2 LYS 70 2.838 9.837 -6.132 555 HZ1 LYS 70 HZ1 LYS 70 4.002 11.435 -8.295 556 HZ2 LYS 70 HZ2 LYS 70 4.227 11.961 -6.695 557 HZ3 LYS 70 HZ3 LYS 70 2.657 11.762 -7.314 558 H MET 71 H MET 71 8.188 5.332 -5.895 559 HA MET 71 HA MET 71 9.907 4.894 -3.521 560 HB2 MET 71 HB3 MET 71 9.565 3.039 -5.146 561 HB3 MET 71 HB2 MET 71 10.307 4.030 -6.403 562 HG2 MET 71 HG3 MET 71 12.405 4.103 -5.186 563 HG3 MET 71 HG2 MET 71 11.680 3.276 -3.808 564 HE1 MET 71 HE1 MET 71 12.114 0.845 -3.425 565 HE2 MET 71 HE2 MET 71 11.461 -0.299 -4.594 566 HE3 MET 71 HE3 MET 71 10.459 1.030 -4.020 567 H LEU 72 H LEU 72 11.216 6.581 -3.003 568 HA LEU 72 HA LEU 72 11.835 8.808 -4.577 569 HB2 LEU 72 HB2 LEU 72 12.415 8.169 -2.056 570 HB3 LEU 72 HB3 LEU 72 13.972 7.747 -2.772 571 HG LEU 72 HG LEU 72 14.067 10.067 -2.076 572 HD11 LEU 72 HD11 LEU 72 13.581 10.178 -5.052 573 HD12 LEU 72 HD12 LEU 72 14.958 9.300 -4.386 574 HD13 LEU 72 HD13 LEU 72 14.796 11.034 -4.105 575 HD21 LEU 72 HD21 LEU 72 11.375 10.105 -2.516 576 HD22 LEU 72 HD22 LEU 72 11.950 10.970 -3.943 577 HD23 LEU 72 HD23 LEU 72 12.355 11.560 -2.330 Start of MODEL 3 1 H1 GLY 1 H1 GLY 1 -19.391 14.072 -8.043 2 H2 GLY 1 H2 GLY 1 -20.189 15.178 -7.029 3 H3 GLY 1 H3 GLY 1 -19.658 13.687 -6.411 4 HA2 GLY 1 HA2 GLY 1 -17.679 15.583 -7.678 5 HA3 GLY 1 HA3 GLY 1 -18.193 15.716 -5.970 6 H SER 2 H SER 2 -15.647 15.524 -6.272 7 HA SER 2 HA SER 2 -13.978 14.411 -5.041 8 HB2 SER 2 HB3 SER 2 -16.078 13.813 -2.979 9 HB3 SER 2 HB2 SER 2 -14.415 14.347 -2.749 10 HG SER 2 HG SER 2 -15.074 16.337 -2.885 11 H MET 3 H MET 3 -13.705 12.566 -6.399 12 HA MET 3 HA MET 3 -15.392 10.268 -6.387 13 HB2 MET 3 HB3 MET 3 -13.145 9.109 -7.092 14 HB3 MET 3 HB2 MET 3 -13.870 10.310 -8.163 15 HG2 MET 3 HG3 MET 3 -12.383 12.030 -7.371 16 HG3 MET 3 HG2 MET 3 -11.781 10.990 -6.079 17 HE1 MET 3 HE1 MET 3 -12.258 9.835 -10.097 18 HE2 MET 3 HE2 MET 3 -11.018 11.016 -10.510 19 HE3 MET 3 HE3 MET 3 -12.443 11.524 -9.605 20 H GLU 4 H GLU 4 -15.496 8.512 -5.017 21 HA GLU 4 HA GLU 4 -13.787 8.649 -2.577 22 HB2 GLU 4 HB3 GLU 4 -15.514 7.198 -1.549 23 HB3 GLU 4 HB2 GLU 4 -16.217 8.687 -2.183 24 HG2 GLU 4 HG2 GLU 4 -16.885 7.496 -4.242 25 HG3 GLU 4 HG3 GLU 4 -16.197 6.005 -3.599 26 H ARG 5 H ARG 5 -12.792 6.687 -1.802 27 HA ARG 5 HA ARG 5 -11.618 4.675 -2.083 28 HB2 ARG 5 HB3 ARG 5 -14.141 4.029 -2.610 29 HB3 ARG 5 HB2 ARG 5 -13.509 3.829 -4.245 30 HG2 ARG 5 HG3 ARG 5 -13.128 1.706 -3.388 31 HG3 ARG 5 HG2 ARG 5 -11.596 2.489 -2.995 32 HD2 ARG 5 HD3 ARG 5 -12.359 2.954 -0.732 33 HD3 ARG 5 HD2 ARG 5 -13.963 2.323 -1.107 34 HE ARG 5 HE ARG 5 -12.025 0.294 -1.647 35 HH11 ARG 5 HH21 ARG 5 -13.481 2.081 0.917 36 HH12 ARG 5 HH22 ARG 5 -13.297 0.812 2.084 37 HH21 ARG 5 HH11 ARG 5 -11.776 -1.372 -0.139 38 HH22 ARG 5 HH12 ARG 5 -12.332 -1.142 1.486 39 H LYS 6 H LYS 6 -9.988 6.153 -3.140 40 HA LYS 6 HA LYS 6 -9.903 6.201 -6.063 41 HB2 LYS 6 HB3 LYS 6 -7.914 7.028 -3.929 42 HB3 LYS 6 HB2 LYS 6 -7.614 7.208 -5.658 43 HG2 LYS 6 HG3 LYS 6 -9.150 8.903 -5.890 44 HG3 LYS 6 HG2 LYS 6 -10.201 8.265 -4.626 45 HD2 LYS 6 HD3 LYS 6 -8.930 9.217 -2.904 46 HD3 LYS 6 HD2 LYS 6 -7.490 9.358 -3.914 47 HE2 LYS 6 HE3 LYS 6 -8.408 11.188 -5.141 48 HE3 LYS 6 HE2 LYS 6 -10.021 10.911 -4.484 49 HZ1 LYS 6 HZ1 LYS 6 -9.377 11.674 -2.390 50 HZ2 LYS 6 HZ2 LYS 6 -8.658 12.774 -3.467 51 HZ3 LYS 6 HZ3 LYS 6 -7.722 11.556 -2.741 52 H ARG 7 H ARG 7 -7.794 5.399 -7.144 53 HA ARG 7 HA ARG 7 -6.760 2.916 -5.885 54 HB2 ARG 7 HB3 ARG 7 -8.137 3.056 -8.583 55 HB3 ARG 7 HB2 ARG 7 -7.164 1.686 -8.048 56 HG2 ARG 7 HG3 ARG 7 -8.642 1.361 -6.115 57 HG3 ARG 7 HG2 ARG 7 -9.604 2.758 -6.601 58 HD2 ARG 7 HD3 ARG 7 -10.681 0.679 -7.350 59 HD3 ARG 7 HD2 ARG 7 -10.150 1.630 -8.737 60 HE ARG 7 HE ARG 7 -8.501 -0.031 -9.199 61 HH11 ARG 7 HH21 ARG 7 -10.113 -0.487 -6.185 62 HH12 ARG 7 HH22 ARG 7 -9.491 -2.087 -5.943 63 HH21 ARG 7 HH11 ARG 7 -7.680 -2.116 -8.899 64 HH22 ARG 7 HH12 ARG 7 -8.114 -3.008 -7.479 65 H TRP 8 H TRP 8 -4.611 2.616 -6.360 66 HA TRP 8 HA TRP 8 -3.432 3.746 -8.796 67 HB2 TRP 8 HB3 TRP 8 -2.820 4.865 -6.052 68 HB3 TRP 8 HB2 TRP 8 -1.714 5.044 -7.415 69 HD1 TRP 8 HD1 TRP 8 -3.461 5.743 -9.771 70 HE1 TRP 8 HE1 TRP 8 -4.902 7.880 -9.849 71 HE3 TRP 8 HE3 TRP 8 -3.836 6.737 -4.775 72 HZ2 TRP 8 HZ2 TRP 8 -6.060 9.762 -8.032 73 HZ3 TRP 8 HZ3 TRP 8 -5.113 8.705 -3.979 74 HH2 TRP 8 HH2 TRP 8 -6.223 10.218 -5.598 75 H GLU 9 H GLU 9 -1.832 2.372 -9.426 76 HA GLU 9 HA GLU 9 -0.941 0.283 -7.547 77 HB2 GLU 9 HB3 GLU 9 -1.520 -0.288 -9.896 78 HB3 GLU 9 HB2 GLU 9 -0.203 0.744 -10.455 79 HG2 GLU 9 HG2 GLU 9 1.414 -0.641 -9.203 80 HG3 GLU 9 HG3 GLU 9 0.096 -1.680 -8.655 81 H CYS 10 H CYS 10 0.859 0.555 -6.329 82 HA CYS 10 HA CYS 10 2.645 2.818 -6.815 83 HB2 CYS 10 HB3 CYS 10 3.717 0.987 -4.884 84 HB3 CYS 10 HB2 CYS 10 3.007 2.578 -4.608 85 HG CYS 10 HG CYS 10 1.214 1.275 -3.477 86 HA PRO 11 HA PRO 11 5.291 0.380 -9.466 87 HB2 PRO 11 HB3 PRO 11 7.169 2.328 -9.864 88 HB3 PRO 11 HB2 PRO 11 5.604 2.301 -10.697 89 HG2 PRO 11 HG3 PRO 11 6.475 3.913 -8.357 90 HG3 PRO 11 HG2 PRO 11 5.443 4.368 -9.722 91 HD2 PRO 11 HD3 PRO 11 4.474 3.711 -7.237 92 HD3 PRO 11 HD2 PRO 11 3.536 3.494 -8.732 93 H ALA 12 H ALA 12 6.082 1.675 -6.381 94 HA ALA 12 HA ALA 12 8.831 0.651 -6.345 95 HB1 ALA 12 HB1 ALA 12 7.419 1.284 -3.803 96 HB2 ALA 12 HB2 ALA 12 7.629 2.617 -4.940 97 HB3 ALA 12 HB3 ALA 12 9.037 1.743 -4.336 98 H LEU 13 H LEU 13 5.699 -0.628 -5.859 99 HA LEU 13 HA LEU 13 6.744 -2.857 -4.184 100 HB2 LEU 13 HB2 LEU 13 3.980 -1.868 -4.871 101 HB3 LEU 13 HB3 LEU 13 4.220 -3.499 -4.244 102 HG LEU 13 HG LEU 13 5.170 -2.688 -2.213 103 HD11 LEU 13 HD11 LEU 13 5.350 -0.067 -3.708 104 HD12 LEU 13 HD12 LEU 13 6.653 -0.984 -2.951 105 HD13 LEU 13 HD13 LEU 13 5.469 -0.143 -1.950 106 HD21 LEU 13 HD21 LEU 13 2.837 -2.465 -2.002 107 HD22 LEU 13 HD22 LEU 13 2.766 -1.137 -3.159 108 HD23 LEU 13 HD23 LEU 13 3.422 -0.866 -1.545 109 HA PRO 14 HA PRO 14 7.036 -5.751 -7.493 110 HB2 PRO 14 HB3 PRO 14 5.389 -7.614 -5.863 111 HB3 PRO 14 HB2 PRO 14 7.023 -7.830 -6.520 112 HG2 PRO 14 HG3 PRO 14 6.620 -7.398 -3.928 113 HG3 PRO 14 HG2 PRO 14 8.019 -6.719 -4.776 114 HD2 PRO 14 HD3 PRO 14 5.519 -5.325 -3.874 115 HD3 PRO 14 HD2 PRO 14 7.196 -4.743 -3.947 116 H GLN 15 H GLN 15 5.840 -6.326 -9.315 117 HA GLN 15 HA GLN 15 3.348 -5.209 -9.873 118 HB2 GLN 15 HB3 GLN 15 4.475 -7.814 -10.947 119 HB3 GLN 15 HB2 GLN 15 3.145 -6.911 -11.674 120 HG2 GLN 15 HG2 GLN 15 5.936 -5.813 -11.221 121 HG3 GLN 15 HG3 GLN 15 5.329 -6.414 -12.765 122 HE21 GLN 15 HE21 GLN 15 5.977 -3.557 -11.430 123 HE22 GLN 15 HE22 GLN 15 4.686 -2.618 -12.004 124 H GLY 16 H GLY 16 1.295 -5.644 -9.208 125 HA2 GLY 16 HA2 GLY 16 -0.429 -7.436 -8.836 126 HA3 GLY 16 HA3 GLY 16 0.799 -8.292 -7.902 127 H TRP 17 H TRP 17 1.628 -5.466 -6.904 128 HA TRP 17 HA TRP 17 -0.226 -5.507 -4.596 129 HB2 TRP 17 HB3 TRP 17 2.393 -4.075 -5.117 130 HB3 TRP 17 HB2 TRP 17 1.429 -3.831 -3.659 131 HD1 TRP 17 HD1 TRP 17 2.653 -6.947 -5.621 132 HE1 TRP 17 HE1 TRP 17 3.546 -8.659 -3.912 133 HE3 TRP 17 HE3 TRP 17 1.859 -4.365 -1.286 134 HZ2 TRP 17 HZ2 TRP 17 3.880 -8.901 -1.081 135 HZ3 TRP 17 HZ3 TRP 17 2.474 -5.358 0.900 136 HH2 TRP 17 HH2 TRP 17 3.483 -7.621 1.007 137 H GLU 18 H GLU 18 -1.346 -3.590 -3.909 138 HA GLU 18 HA GLU 18 -1.343 -1.260 -5.720 139 HB2 GLU 18 HB3 GLU 18 -3.762 -3.032 -5.286 140 HB3 GLU 18 HB2 GLU 18 -3.867 -1.388 -5.917 141 HG2 GLU 18 HG2 GLU 18 -2.334 -2.020 -7.766 142 HG3 GLU 18 HG3 GLU 18 -2.301 -3.674 -7.152 143 H ARG 19 H ARG 19 -2.736 0.515 -4.788 144 HA ARG 19 HA ARG 19 -3.327 0.178 -1.896 145 HB2 ARG 19 HB3 ARG 19 -2.060 2.128 -1.263 146 HB3 ARG 19 HB2 ARG 19 -0.977 1.083 -2.184 147 HG2 ARG 19 HG3 ARG 19 -1.491 2.412 -4.231 148 HG3 ARG 19 HG2 ARG 19 -2.471 3.499 -3.245 149 HD2 ARG 19 HD3 ARG 19 -0.453 3.944 -1.827 150 HD3 ARG 19 HD2 ARG 19 0.499 2.975 -2.951 151 HE ARG 19 HE ARG 19 -0.508 5.681 -3.441 152 HH11 ARG 19 HH21 ARG 19 0.588 2.682 -4.742 153 HH12 ARG 19 HH22 ARG 19 1.087 3.368 -6.252 154 HH21 ARG 19 HH11 ARG 19 0.138 6.594 -5.404 155 HH22 ARG 19 HH12 ARG 19 0.832 5.582 -6.628 156 H GLU 20 H GLU 20 -4.920 1.664 -1.138 157 HA GLU 20 HA GLU 20 -6.199 3.311 -3.286 158 HB2 GLU 20 HB3 GLU 20 -7.534 1.665 -1.115 159 HB3 GLU 20 HB2 GLU 20 -8.383 2.780 -2.187 160 HG2 GLU 20 HG2 GLU 20 -7.584 1.490 -4.145 161 HG3 GLU 20 HG3 GLU 20 -6.773 0.361 -3.059 162 H GLU 21 H GLU 21 -7.504 5.142 -2.384 163 HA GLU 21 HA GLU 21 -6.308 6.126 0.178 164 HB2 GLU 21 HB3 GLU 21 -5.649 7.368 -1.932 165 HB3 GLU 21 HB2 GLU 21 -7.343 7.831 -2.104 166 HG2 GLU 21 HG2 GLU 21 -7.293 8.933 0.082 167 HG3 GLU 21 HG3 GLU 21 -5.626 8.415 0.328 168 H VAL 22 H VAL 22 -7.741 6.770 1.755 169 HA VAL 22 HA VAL 22 -10.617 7.015 0.980 170 HB VAL 22 HB VAL 22 -9.677 5.722 3.547 171 HG11 VAL 22 HG21 VAL 22 -11.974 4.924 3.649 172 HG12 VAL 22 HG22 VAL 22 -12.314 5.598 2.053 173 HG13 VAL 22 HG23 VAL 22 -11.992 6.672 3.414 174 HG21 VAL 22 HG13 VAL 22 -10.188 4.541 0.821 175 HG22 VAL 22 HG11 VAL 22 -10.487 3.590 2.276 176 HG23 VAL 22 HG12 VAL 22 -8.868 4.203 1.940 177 HA PRO 23 HA PRO 23 -9.779 10.809 3.236 178 HB2 PRO 23 HB3 PRO 23 -12.059 12.089 2.486 179 HB3 PRO 23 HB2 PRO 23 -10.663 11.906 1.407 180 HG2 PRO 23 HG3 PRO 23 -13.225 10.405 1.458 181 HG3 PRO 23 HG2 PRO 23 -12.240 10.916 0.078 182 HD2 PRO 23 HD3 PRO 23 -12.247 8.340 1.114 183 HD3 PRO 23 HD2 PRO 23 -10.911 9.030 0.164 184 H ARG 24 H ARG 24 -10.428 11.534 5.272 185 HA ARG 24 HA ARG 24 -12.427 9.915 6.682 186 HB2 ARG 24 HB3 ARG 24 -10.619 12.190 7.536 187 HB3 ARG 24 HB2 ARG 24 -11.772 11.418 8.627 188 HG2 ARG 24 HG3 ARG 24 -9.856 9.715 7.063 189 HG3 ARG 24 HG2 ARG 24 -9.294 10.536 8.520 190 HD2 ARG 24 HD3 ARG 24 -11.214 9.521 9.768 191 HD3 ARG 24 HD2 ARG 24 -11.622 8.605 8.318 192 HE ARG 24 HE ARG 24 -8.863 8.288 9.323 193 HH11 ARG 24 HH21 ARG 24 -12.115 7.165 9.087 194 HH12 ARG 24 HH22 ARG 24 -11.721 5.529 9.494 195 HH21 ARG 24 HH11 ARG 24 -8.329 6.157 9.856 196 HH22 ARG 24 HH12 ARG 24 -9.577 4.958 9.929 197 H ARG 25 H ARG 25 -14.267 10.882 7.809 198 HA ARG 25 HA ARG 25 -15.231 13.386 6.481 199 HB2 ARG 25 HB3 ARG 25 -16.478 11.350 5.775 200 HB3 ARG 25 HB2 ARG 25 -16.896 11.046 7.461 201 HG2 ARG 25 HG3 ARG 25 -18.055 13.213 7.579 202 HG3 ARG 25 HG2 ARG 25 -17.618 13.547 5.903 203 HD2 ARG 25 HD3 ARG 25 -19.247 11.146 6.777 204 HD3 ARG 25 HD2 ARG 25 -19.951 12.646 6.174 205 HE ARG 25 HE ARG 25 -18.054 11.787 4.258 206 HH11 ARG 25 HH21 ARG 25 -21.009 10.783 5.723 207 HH12 ARG 25 HH22 ARG 25 -21.557 9.911 4.330 208 HH21 ARG 25 HH11 ARG 25 -18.751 10.653 2.432 209 HH22 ARG 25 HH12 ARG 25 -20.279 9.837 2.468 210 H SER 26 H SER 26 -15.542 15.033 7.895 211 HA SER 26 HA SER 26 -15.830 16.172 9.928 212 HB2 SER 26 HB3 SER 26 -17.747 15.585 11.033 213 HB3 SER 26 HB2 SER 26 -17.953 14.513 9.650 214 HG SER 26 HG SER 26 -17.222 13.957 12.275 215 H GLY 27 H GLY 27 -15.291 16.037 12.304 216 HA2 GLY 27 HA2 GLY 27 -14.175 14.911 14.140 217 HA3 GLY 27 HA3 GLY 27 -13.531 13.739 12.988 218 H LEU 28 H LEU 28 -11.989 15.281 14.922 219 HA LEU 28 HA LEU 28 -10.671 17.519 13.780 220 HB2 LEU 28 HB2 LEU 28 -9.855 15.426 15.786 221 HB3 LEU 28 HB3 LEU 28 -8.690 16.632 15.237 222 HG LEU 28 HG LEU 28 -10.274 18.432 15.886 223 HD11 LEU 28 HD11 LEU 28 -12.417 17.483 15.740 224 HD12 LEU 28 HD12 LEU 28 -12.153 17.570 17.482 225 HD13 LEU 28 HD13 LEU 28 -11.942 16.037 16.633 226 HD21 LEU 28 HD21 LEU 28 -9.842 16.504 18.184 227 HD22 LEU 28 HD22 LEU 28 -9.889 18.266 18.254 228 HD23 LEU 28 HD23 LEU 28 -8.535 17.451 17.471 229 H SER 29 H SER 29 -10.879 14.496 12.481 230 HA SER 29 HA SER 29 -8.135 14.577 11.315 231 HB2 SER 29 HB3 SER 29 -8.509 12.402 12.124 232 HB3 SER 29 HB2 SER 29 -10.202 12.411 11.639 233 HG SER 29 HG SER 29 -9.586 11.606 9.809 234 H ALA 30 H ALA 30 -10.393 16.360 10.529 235 HA ALA 30 HA ALA 30 -11.453 15.436 8.007 236 HB1 ALA 30 HB1 ALA 30 -11.239 18.125 9.349 237 HB2 ALA 30 HB2 ALA 30 -12.686 17.182 8.996 238 HB3 ALA 30 HB3 ALA 30 -11.821 17.993 7.690 239 H GLY 31 H GLY 31 -10.634 15.716 5.937 240 HA2 GLY 31 HA2 GLY 31 -9.150 16.513 4.256 241 HA3 GLY 31 HA3 GLY 31 -8.278 17.419 5.493 242 H HIS 32 H HIS 32 -8.395 14.687 7.046 243 HA HIS 32 HA HIS 32 -5.737 13.840 6.186 244 HB2 HIS 32 HB2 HIS 32 -7.642 12.662 8.233 245 HB3 HIS 32 HB3 HIS 32 -5.965 12.165 8.009 246 HD1 HIS 32 HD1 HIS 32 -6.034 13.093 10.668 247 HD2 HIS 32 HD2 HIS 32 -6.053 15.920 7.599 248 HE1 HIS 32 HE1 HIS 32 -5.301 15.285 11.706 249 HE2 HIS 32 HE2 HIS 32 -5.309 17.011 9.848 250 H ARG 33 H ARG 33 -5.385 12.384 4.586 251 HA ARG 33 HA ARG 33 -7.636 10.570 3.830 252 HB2 ARG 33 HB3 ARG 33 -5.256 11.541 2.221 253 HB3 ARG 33 HB2 ARG 33 -6.459 10.393 1.635 254 HG2 ARG 33 HG3 ARG 33 -8.232 12.058 1.924 255 HG3 ARG 33 HG2 ARG 33 -7.070 13.206 2.589 256 HD2 ARG 33 HD3 ARG 33 -5.815 13.162 0.454 257 HD3 ARG 33 HD2 ARG 33 -7.007 12.045 -0.212 258 HE ARG 33 HE ARG 33 -8.291 14.429 0.786 259 HH11 ARG 33 HH21 ARG 33 -6.379 13.115 -1.765 260 HH12 ARG 33 HH22 ARG 33 -6.966 14.228 -2.956 261 HH21 ARG 33 HH11 ARG 33 -9.068 15.888 -0.755 262 HH22 ARG 33 HH12 ARG 33 -8.488 15.798 -2.384 263 H ASP 34 H ASP 34 -7.342 8.587 4.736 264 HA ASP 34 HA ASP 34 -4.640 7.592 5.323 265 HB2 ASP 34 HB2 ASP 34 -7.429 6.527 5.776 266 HB3 ASP 34 HB3 ASP 34 -6.003 5.527 6.063 267 H VAL 35 H VAL 35 -3.580 5.988 4.169 268 HA VAL 35 HA VAL 35 -4.942 5.066 1.670 269 HB VAL 35 HB VAL 35 -2.028 5.624 2.275 270 HG11 VAL 35 HG21 VAL 35 -3.314 3.956 0.134 271 HG12 VAL 35 HG22 VAL 35 -1.811 3.676 1.014 272 HG13 VAL 35 HG23 VAL 35 -1.875 4.898 -0.257 273 HG21 VAL 35 HG13 VAL 35 -2.246 7.171 0.394 274 HG22 VAL 35 HG11 VAL 35 -3.505 7.518 1.578 275 HG23 VAL 35 HG12 VAL 35 -3.900 6.631 0.107 276 H PHE 36 H PHE 36 -5.271 2.896 1.500 277 HA PHE 36 HA PHE 36 -3.914 1.140 3.494 278 HB2 PHE 36 HB3 PHE 36 -6.490 0.855 1.932 279 HB3 PHE 36 HB2 PHE 36 -5.761 -0.491 2.808 280 HD1 PHE 36 HD2 PHE 36 -7.175 2.925 3.176 281 HD2 PHE 36 HD1 PHE 36 -5.877 -0.638 5.193 282 HE1 PHE 36 HE2 PHE 36 -8.174 3.757 5.288 283 HE2 PHE 36 HE1 PHE 36 -6.877 0.193 7.305 284 HZ PHE 36 HZ PHE 36 -8.026 2.391 7.353 285 H TYR 37 H TYR 37 -2.753 -0.667 2.784 286 HA TYR 37 HA TYR 37 -2.236 -0.750 -0.159 287 HB2 TYR 37 HB3 TYR 37 -0.515 -1.489 2.219 288 HB3 TYR 37 HB2 TYR 37 -0.098 -1.937 0.566 289 HD1 TYR 37 HD2 TYR 37 -0.772 0.945 2.819 290 HD2 TYR 37 HD1 TYR 37 0.799 -0.342 -0.967 291 HE1 TYR 37 HE2 TYR 37 0.175 3.206 2.441 292 HE2 TYR 37 HE1 TYR 37 1.744 1.919 -1.344 293 HH TYR 37 HH TYR 37 0.869 4.507 -0.098 294 H TYR 38 H TYR 38 -2.329 -2.755 -1.222 295 HA TYR 38 HA TYR 38 -3.298 -5.056 0.424 296 HB2 TYR 38 HB3 TYR 38 -4.276 -4.321 -2.351 297 HB3 TYR 38 HB2 TYR 38 -4.872 -5.637 -1.339 298 HD1 TYR 38 HD1 TYR 38 -6.190 -5.173 0.692 299 HD2 TYR 38 HD2 TYR 38 -4.874 -2.013 -1.903 300 HE1 TYR 38 HE1 TYR 38 -7.789 -3.616 1.777 301 HE2 TYR 38 HE2 TYR 38 -6.472 -0.457 -0.819 302 HH TYR 38 HH TYR 38 -7.675 -0.648 1.887 303 H SER 39 H SER 39 -2.439 -7.059 -0.150 304 HA SER 39 HA SER 39 -0.240 -6.974 -2.152 305 HB2 SER 39 HB3 SER 39 -0.527 -9.447 -0.619 306 HB3 SER 39 HB2 SER 39 0.874 -8.392 -0.788 307 HG SER 39 HG SER 39 -1.347 -7.608 0.757 308 HA PRO 40 HA PRO 40 -1.948 -9.689 -5.136 309 HB2 PRO 40 HB3 PRO 40 -0.232 -11.970 -4.273 310 HB3 PRO 40 HB2 PRO 40 -0.386 -11.214 -5.870 311 HG2 PRO 40 HG3 PRO 40 1.751 -10.790 -4.362 312 HG3 PRO 40 HG2 PRO 40 1.050 -9.495 -5.347 313 HD2 PRO 40 HD3 PRO 40 0.847 -9.918 -2.374 314 HD3 PRO 40 HD2 PRO 40 0.957 -8.395 -3.282 315 H SER 41 H SER 41 -1.556 -11.299 -1.992 316 HA SER 41 HA SER 41 -3.677 -13.234 -2.547 317 HB2 SER 41 HB3 SER 41 -2.272 -12.505 0.040 318 HB3 SER 41 HB2 SER 41 -3.376 -13.862 -0.163 319 HG SER 41 HG SER 41 -1.044 -13.459 -1.727 320 H GLY 42 H GLY 42 -3.673 -9.978 -1.821 321 HA2 GLY 42 HA2 GLY 42 -5.644 -8.654 -1.520 322 HA3 GLY 42 HA3 GLY 42 -6.515 -10.107 -1.026 323 H LYS 43 H LYS 43 -3.449 -9.713 0.449 324 HA LYS 43 HA LYS 43 -4.590 -9.547 3.083 325 HB2 LYS 43 HB3 LYS 43 -2.383 -10.551 2.696 326 HB3 LYS 43 HB2 LYS 43 -1.758 -8.996 2.142 327 HG2 LYS 43 HG3 LYS 43 -2.262 -8.017 4.364 328 HG3 LYS 43 HG2 LYS 43 -2.835 -9.592 4.914 329 HD2 LYS 43 HD3 LYS 43 -0.642 -10.570 4.612 330 HD3 LYS 43 HD2 LYS 43 -0.043 -9.098 3.845 331 HE2 LYS 43 HE3 LYS 43 -0.283 -7.851 5.905 332 HE3 LYS 43 HE2 LYS 43 -1.089 -9.211 6.687 333 HZ1 LYS 43 HZ1 LYS 43 0.936 -10.510 6.416 334 HZ2 LYS 43 HZ2 LYS 43 1.233 -9.101 7.316 335 HZ3 LYS 43 HZ3 LYS 43 1.708 -9.188 5.688 336 H LYS 44 H LYS 44 -5.410 -7.756 4.042 337 HA LYS 44 HA LYS 44 -4.748 -5.096 2.918 338 HB2 LYS 44 HB3 LYS 44 -7.118 -5.605 3.305 339 HB3 LYS 44 HB2 LYS 44 -6.784 -5.930 5.006 340 HG2 LYS 44 HG3 LYS 44 -6.040 -3.612 5.325 341 HG3 LYS 44 HG2 LYS 44 -6.319 -3.276 3.616 342 HD2 LYS 44 HD3 LYS 44 -8.717 -3.825 3.909 343 HD3 LYS 44 HD2 LYS 44 -8.431 -4.111 5.625 344 HE2 LYS 44 HE3 LYS 44 -7.720 -1.793 5.931 345 HE3 LYS 44 HE2 LYS 44 -7.891 -1.489 4.203 346 HZ1 LYS 44 HZ1 LYS 44 -10.073 -1.224 4.409 347 HZ2 LYS 44 HZ2 LYS 44 -9.827 -1.148 6.087 348 HZ3 LYS 44 HZ3 LYS 44 -10.251 -2.620 5.354 349 H PHE 45 H PHE 45 -3.199 -3.872 3.872 350 HA PHE 45 HA PHE 45 -2.788 -4.121 6.808 351 HB2 PHE 45 HB3 PHE 45 -0.261 -3.993 6.293 352 HB3 PHE 45 HB2 PHE 45 -1.057 -5.545 6.029 353 HD1 PHE 45 HD1 PHE 45 -2.037 -5.948 3.631 354 HD2 PHE 45 HD2 PHE 45 0.965 -3.018 4.553 355 HE1 PHE 45 HE1 PHE 45 -1.358 -5.892 1.246 356 HE2 PHE 45 HE2 PHE 45 1.645 -2.964 2.169 357 HZ PHE 45 HZ PHE 45 0.483 -4.401 0.515 358 H ARG 46 H ARG 46 -1.987 -2.192 7.763 359 HA ARG 46 HA ARG 46 -1.642 0.128 5.916 360 HB2 ARG 46 HB3 ARG 46 -3.970 0.024 6.945 361 HB3 ARG 46 HB2 ARG 46 -3.196 0.274 8.511 362 HG2 ARG 46 HG3 ARG 46 -2.139 2.355 7.590 363 HG3 ARG 46 HG2 ARG 46 -3.086 2.131 6.118 364 HD2 ARG 46 HD3 ARG 46 -4.308 3.662 7.522 365 HD3 ARG 46 HD2 ARG 46 -5.162 2.120 7.567 366 HE ARG 46 HE ARG 46 -4.500 1.862 9.841 367 HH11 ARG 46 HH21 ARG 46 -2.974 4.516 8.259 368 HH12 ARG 46 HH22 ARG 46 -2.342 5.197 9.720 369 HH21 ARG 46 HH11 ARG 46 -3.684 2.735 11.760 370 HH22 ARG 46 HH12 ARG 46 -2.745 4.189 11.704 371 H SER 47 H SER 47 0.643 -0.744 6.631 372 HA SER 47 HA SER 47 1.543 1.045 8.802 373 HB2 SER 47 HB3 SER 47 1.723 -1.954 8.880 374 HB3 SER 47 HB2 SER 47 2.984 -0.983 9.636 375 HG SER 47 HG SER 47 1.609 -0.343 11.121 376 H LYS 48 H LYS 48 3.439 1.990 8.194 377 HA LYS 48 HA LYS 48 4.618 1.457 5.646 378 HB2 LYS 48 HB3 LYS 48 5.097 3.607 6.359 379 HB3 LYS 48 HB2 LYS 48 5.354 3.106 8.031 380 HG2 LYS 48 HG3 LYS 48 7.520 2.281 7.577 381 HG3 LYS 48 HG2 LYS 48 7.229 2.227 5.838 382 HD2 LYS 48 HD3 LYS 48 7.175 4.667 5.734 383 HD3 LYS 48 HD2 LYS 48 7.358 4.769 7.485 384 HE2 LYS 48 HE3 LYS 48 9.578 3.996 7.425 385 HE3 LYS 48 HE2 LYS 48 9.387 3.292 5.820 386 HZ1 LYS 48 HZ1 LYS 48 10.428 5.184 5.221 387 HZ2 LYS 48 HZ2 LYS 48 9.917 6.046 6.594 388 HZ3 LYS 48 HZ3 LYS 48 8.860 5.827 5.281 389 HA PRO 49 HA PRO 49 8.198 -0.618 8.280 390 HB2 PRO 49 HB3 PRO 49 7.215 -1.659 10.665 391 HB3 PRO 49 HB2 PRO 49 8.118 -0.139 10.511 392 HG2 PRO 49 HG3 PRO 49 5.179 -0.585 10.689 393 HG3 PRO 49 HG2 PRO 49 6.178 0.670 11.439 394 HD2 PRO 49 HD3 PRO 49 4.696 1.229 9.246 395 HD3 PRO 49 HD2 PRO 49 6.315 1.931 9.451 396 H GLN 50 H GLN 50 4.869 -1.829 8.675 397 HA GLN 50 HA GLN 50 5.540 -4.615 8.545 398 HB2 GLN 50 HB3 GLN 50 3.334 -3.656 9.318 399 HB3 GLN 50 HB2 GLN 50 2.956 -3.328 7.627 400 HG2 GLN 50 HG2 GLN 50 3.137 -5.694 7.079 401 HG3 GLN 50 HG3 GLN 50 3.659 -6.066 8.722 402 HE21 GLN 50 HE21 GLN 50 1.272 -7.201 7.513 403 HE22 GLN 50 HE22 GLN 50 -0.065 -6.632 8.392 404 H LEU 51 H LEU 51 4.705 -2.225 6.052 405 HA LEU 51 HA LEU 51 4.680 -4.120 3.876 406 HB2 LEU 51 HB2 LEU 51 3.734 -1.698 3.959 407 HB3 LEU 51 HB3 LEU 51 5.380 -1.206 3.557 408 HG LEU 51 HG LEU 51 3.851 -3.273 1.962 409 HD11 LEU 51 HD11 LEU 51 4.270 -0.452 1.030 410 HD12 LEU 51 HD12 LEU 51 2.910 -0.812 2.093 411 HD13 LEU 51 HD13 LEU 51 3.046 -1.620 0.532 412 HD21 LEU 51 HD21 LEU 51 6.008 -3.547 1.246 413 HD22 LEU 51 HD22 LEU 51 6.511 -1.966 1.842 414 HD23 LEU 51 HD23 LEU 51 5.661 -2.099 0.302 415 H ALA 52 H ALA 52 7.178 -1.984 5.243 416 HA ALA 52 HA ALA 52 9.191 -2.535 3.291 417 HB1 ALA 52 HB1 ALA 52 9.733 -0.731 4.663 418 HB2 ALA 52 HB2 ALA 52 10.731 -2.003 5.367 419 HB3 ALA 52 HB3 ALA 52 9.204 -1.557 6.129 420 H ARG 53 H ARG 53 8.400 -4.130 6.380 421 HA ARG 53 HA ARG 53 10.528 -6.014 6.370 422 HB2 ARG 53 HB3 ARG 53 7.728 -6.101 7.505 423 HB3 ARG 53 HB2 ARG 53 8.860 -7.439 7.714 424 HG2 ARG 53 HG3 ARG 53 10.511 -5.787 8.664 425 HG3 ARG 53 HG2 ARG 53 9.232 -4.573 8.625 426 HD2 ARG 53 HD3 ARG 53 8.941 -7.233 10.043 427 HD3 ARG 53 HD2 ARG 53 9.503 -5.767 10.848 428 HE ARG 53 HE ARG 53 6.755 -6.287 9.921 429 HH11 ARG 53 HH21 ARG 53 9.161 -4.070 11.012 430 HH12 ARG 53 HH22 ARG 53 8.018 -2.881 11.536 431 HH21 ARG 53 HH11 ARG 53 5.247 -4.745 10.601 432 HH22 ARG 53 HH12 ARG 53 5.802 -3.263 11.304 433 H TYR 54 H TYR 54 7.279 -6.181 4.915 434 HA TYR 54 HA TYR 54 7.464 -8.842 3.926 435 HB2 TYR 54 HB3 TYR 54 5.454 -7.162 3.935 436 HB3 TYR 54 HB2 TYR 54 6.091 -6.665 2.368 437 HD1 TYR 54 HD1 TYR 54 6.771 -8.721 0.780 438 HD2 TYR 54 HD2 TYR 54 3.890 -8.886 3.961 439 HE1 TYR 54 HE1 TYR 54 5.717 -10.700 -0.279 440 HE2 TYR 54 HE2 TYR 54 2.835 -10.865 2.903 441 HH TYR 54 HH TYR 54 3.066 -11.702 -0.066 442 H LEU 55 H LEU 55 8.249 -5.752 2.293 443 HA LEU 55 HA LEU 55 9.557 -7.211 0.097 444 HB2 LEU 55 HB2 LEU 55 8.831 -4.383 0.679 445 HB3 LEU 55 HB3 LEU 55 10.229 -4.642 -0.364 446 HG LEU 55 HG LEU 55 8.005 -4.474 -1.576 447 HD11 LEU 55 HD11 LEU 55 9.176 -5.577 -3.150 448 HD12 LEU 55 HD12 LEU 55 8.683 -7.107 -2.423 449 HD13 LEU 55 HD13 LEU 55 10.175 -6.323 -1.903 450 HD21 LEU 55 HD21 LEU 55 7.038 -6.051 0.376 451 HD22 LEU 55 HD22 LEU 55 7.468 -7.301 -0.792 452 HD23 LEU 55 HD23 LEU 55 6.336 -6.027 -1.242 453 H GLY 56 H GLY 56 10.438 -6.487 3.190 454 HA2 GLY 56 HA2 GLY 56 13.054 -5.379 2.923 455 HA3 GLY 56 HA3 GLY 56 12.513 -6.369 4.280 456 H GLY 57 H GLY 57 14.276 -6.358 1.293 457 HA2 GLY 57 HA2 GLY 57 16.103 -8.191 1.425 458 HA3 GLY 57 HA3 GLY 57 14.734 -9.299 1.544 459 H SER 58 H SER 58 13.023 -8.828 -0.301 460 HA SER 58 HA SER 58 14.375 -9.320 -2.806 461 HB2 SER 58 HB3 SER 58 12.088 -9.271 -3.770 462 HB3 SER 58 HB2 SER 58 12.170 -10.287 -2.335 463 HG SER 58 HG SER 58 10.849 -8.970 -1.370 464 H MET 59 H MET 59 13.189 -6.462 -1.211 465 HA MET 59 HA MET 59 14.393 -4.784 -3.287 466 HB2 MET 59 HB3 MET 59 12.088 -5.292 -4.168 467 HB3 MET 59 HB2 MET 59 11.424 -4.507 -2.736 468 HG2 MET 59 HG3 MET 59 12.700 -2.440 -3.338 469 HG3 MET 59 HG2 MET 59 13.201 -3.230 -4.832 470 HE1 MET 59 HE1 MET 59 11.855 -4.285 -6.351 471 HE2 MET 59 HE2 MET 59 10.388 -3.585 -7.032 472 HE3 MET 59 HE3 MET 59 10.268 -4.821 -5.783 473 H ASP 60 H ASP 60 14.743 -2.638 -2.521 474 HA ASP 60 HA ASP 60 14.437 -2.371 0.417 475 HB2 ASP 60 HB2 ASP 60 16.655 -1.963 -0.756 476 HB3 ASP 60 HB3 ASP 60 15.922 -0.528 -1.473 477 H LEU 61 H LEU 61 12.666 -1.300 1.134 478 HA LEU 61 HA LEU 61 11.505 0.820 -0.629 479 HB2 LEU 61 HB2 LEU 61 10.283 -1.208 1.204 480 HB3 LEU 61 HB3 LEU 61 9.462 0.339 0.998 481 HG LEU 61 HG LEU 61 9.443 0.023 -1.439 482 HD11 LEU 61 HD11 LEU 61 11.339 -1.231 -1.981 483 HD12 LEU 61 HD12 LEU 61 10.061 -2.436 -2.141 484 HD13 LEU 61 HD13 LEU 61 11.060 -2.396 -0.688 485 HD21 LEU 61 HD21 LEU 61 8.054 -2.192 -1.410 486 HD22 LEU 61 HD22 LEU 61 7.473 -0.817 -0.471 487 HD23 LEU 61 HD23 LEU 61 8.320 -2.139 0.333 488 H SER 62 H SER 62 13.550 0.655 1.819 489 HA SER 62 HA SER 62 12.521 2.117 3.987 490 HB2 SER 62 HB3 SER 62 15.274 2.386 2.742 491 HB3 SER 62 HB2 SER 62 14.830 2.886 4.371 492 HG SER 62 HG SER 62 14.867 0.272 3.271 493 H THR 63 H THR 63 13.637 3.279 0.828 494 HA THR 63 HA THR 63 13.043 6.072 1.612 495 HB THR 63 HB THR 63 13.822 6.529 -0.776 496 HG1 THR 63 HG1 THR 63 13.569 4.607 -1.758 497 HG21 THR 63 HG21 THR 63 15.770 5.012 0.979 498 HG22 THR 63 HG22 THR 63 15.275 6.681 1.267 499 HG23 THR 63 HG23 THR 63 16.159 6.265 -0.202 500 H PHE 64 H PHE 64 11.020 3.771 1.114 501 HA PHE 64 HA PHE 64 9.478 4.897 -1.145 502 HB2 PHE 64 HB3 PHE 64 9.596 2.445 -0.886 503 HB3 PHE 64 HB2 PHE 64 8.866 2.577 0.714 504 HD1 PHE 64 HD2 PHE 64 8.240 3.695 -2.816 505 HD2 PHE 64 HD1 PHE 64 6.557 2.330 0.892 506 HE1 PHE 64 HE2 PHE 64 5.982 3.688 -3.844 507 HE2 PHE 64 HE1 PHE 64 4.300 2.323 -0.135 508 HZ PHE 64 HZ PHE 64 4.013 3.001 -2.503 509 H ASP 65 H ASP 65 7.758 6.259 -0.861 510 HA ASP 65 HA ASP 65 7.190 7.227 1.849 511 HB2 ASP 65 HB2 ASP 65 7.314 8.766 -0.118 512 HB3 ASP 65 HB3 ASP 65 5.880 7.982 -0.781 513 H PHE 66 H PHE 66 5.812 6.060 3.101 514 HA PHE 66 HA PHE 66 3.880 4.215 1.951 515 HB2 PHE 66 HB3 PHE 66 4.887 3.668 4.088 516 HB3 PHE 66 HB2 PHE 66 4.324 5.186 4.789 517 HD1 PHE 66 HD2 PHE 66 3.248 1.897 3.456 518 HD2 PHE 66 HD1 PHE 66 2.056 5.461 5.534 519 HE1 PHE 66 HE2 PHE 66 1.102 0.820 4.074 520 HE2 PHE 66 HE1 PHE 66 -0.090 4.384 6.152 521 HZ PHE 66 HZ PHE 66 -0.568 2.063 5.422 522 H ARG 67 H ARG 67 3.670 7.359 3.621 523 HA ARG 67 HA ARG 67 0.841 7.552 3.697 524 HB2 ARG 67 HB3 ARG 67 2.426 9.112 4.850 525 HB3 ARG 67 HB2 ARG 67 2.804 9.827 3.284 526 HG2 ARG 67 HG3 ARG 67 1.118 11.249 4.061 527 HG3 ARG 67 HG2 ARG 67 0.203 10.102 3.083 528 HD2 ARG 67 HD3 ARG 67 -0.351 8.798 5.085 529 HD3 ARG 67 HD2 ARG 67 0.609 9.893 6.081 530 HE ARG 67 HE ARG 67 -2.040 10.479 4.924 531 HH11 ARG 67 HH21 ARG 67 0.860 11.562 6.441 532 HH12 ARG 67 HH22 ARG 67 0.159 13.031 7.035 533 HH21 ARG 67 HH11 ARG 67 -2.974 12.389 5.692 534 HH22 ARG 67 HH12 ARG 67 -2.011 13.498 6.611 535 H THR 68 H THR 68 3.140 8.551 1.158 536 HA THR 68 HA THR 68 0.847 9.201 -0.611 537 HB THR 68 HB THR 68 2.499 10.224 -2.076 538 HG1 THR 68 HG1 THR 68 4.466 9.539 -2.026 539 HG21 THR 68 HG21 THR 68 2.705 10.823 0.865 540 HG22 THR 68 HG22 THR 68 1.900 11.751 -0.401 541 HG23 THR 68 HG23 THR 68 3.661 11.739 -0.301 542 H GLY 69 H GLY 69 2.984 6.642 0.068 543 HA2 GLY 69 HA2 GLY 69 3.324 4.578 -0.995 544 HA3 GLY 69 HA3 GLY 69 1.857 4.923 -1.912 545 H LYS 70 H LYS 70 4.880 6.794 -1.867 546 HA LYS 70 HA LYS 70 5.286 6.032 -4.727 547 HB2 LYS 70 HB3 LYS 70 5.439 8.806 -3.510 548 HB3 LYS 70 HB2 LYS 70 5.996 8.406 -5.136 549 HG2 LYS 70 HG3 LYS 70 3.725 7.625 -5.720 550 HG3 LYS 70 HG2 LYS 70 3.168 8.045 -4.100 551 HD2 LYS 70 HD3 LYS 70 3.756 10.401 -4.490 552 HD3 LYS 70 HD2 LYS 70 4.351 9.993 -6.101 553 HE2 LYS 70 HE3 LYS 70 2.103 9.218 -6.746 554 HE3 LYS 70 HE2 LYS 70 1.503 9.603 -5.133 555 HZ1 LYS 70 HZ1 LYS 70 2.024 11.906 -5.486 556 HZ2 LYS 70 HZ2 LYS 70 1.052 11.359 -6.768 557 HZ3 LYS 70 HZ3 LYS 70 2.723 11.568 -6.994 558 H MET 71 H MET 71 7.532 6.214 -5.431 559 HA MET 71 HA MET 71 9.412 5.752 -3.183 560 HB2 MET 71 HB3 MET 71 9.274 4.159 -5.141 561 HB3 MET 71 HB2 MET 71 9.920 5.449 -6.155 562 HG2 MET 71 HG3 MET 71 11.993 5.454 -5.043 563 HG3 MET 71 HG2 MET 71 11.339 4.632 -3.627 564 HE1 MET 71 HE1 MET 71 10.933 2.387 -3.286 565 HE2 MET 71 HE2 MET 71 12.694 2.439 -3.294 566 HE3 MET 71 HE3 MET 71 11.855 1.104 -4.081 567 H LEU 72 H LEU 72 10.635 7.434 -2.494 568 HA LEU 72 HA LEU 72 10.972 9.781 -4.276 569 HB2 LEU 72 HB2 LEU 72 10.277 9.796 -1.724 570 HB3 LEU 72 HB3 LEU 72 12.019 9.677 -1.468 571 HG LEU 72 HG LEU 72 11.428 12.026 -1.507 572 HD11 LEU 72 HD11 LEU 72 12.927 12.784 -3.195 573 HD12 LEU 72 HD12 LEU 72 12.554 11.420 -4.247 574 HD13 LEU 72 HD13 LEU 72 13.491 11.167 -2.773 575 HD21 LEU 72 HD21 LEU 72 10.466 11.966 -4.317 576 HD22 LEU 72 HD22 LEU 72 9.929 12.963 -2.965 577 HD23 LEU 72 HD23 LEU 72 9.363 11.300 -3.113 Start of MODEL 4 1 H1 GLY 1 H1 GLY 1 -18.149 4.052 1.925 2 H2 GLY 1 H2 GLY 1 -18.542 5.698 1.772 3 H3 GLY 1 H3 GLY 1 -18.283 4.751 0.384 4 HA2 GLY 1 HA2 GLY 1 -20.298 3.499 2.054 5 HA3 GLY 1 HA3 GLY 1 -20.702 5.166 1.543 6 H SER 2 H SER 2 -19.761 5.937 -0.645 7 HA SER 2 HA SER 2 -21.931 4.638 -2.245 8 HB2 SER 2 HB3 SER 2 -22.577 6.789 -3.108 9 HB3 SER 2 HB2 SER 2 -22.508 6.942 -1.355 10 HG SER 2 HG SER 2 -21.048 8.413 -1.645 11 H MET 3 H MET 3 -19.297 7.016 -2.766 12 HA MET 3 HA MET 3 -18.730 5.794 -5.380 13 HB2 MET 3 HB3 MET 3 -17.466 8.112 -3.889 14 HB3 MET 3 HB2 MET 3 -16.979 7.594 -5.503 15 HG2 MET 3 HG3 MET 3 -19.284 7.968 -6.315 16 HG3 MET 3 HG2 MET 3 -19.756 8.513 -4.705 17 HE1 MET 3 HE1 MET 3 -17.190 10.680 -3.786 18 HE2 MET 3 HE2 MET 3 -18.818 10.097 -3.452 19 HE3 MET 3 HE3 MET 3 -18.583 11.738 -4.051 20 H GLU 4 H GLU 4 -17.026 4.428 -5.802 21 HA GLU 4 HA GLU 4 -15.712 3.086 -3.636 22 HB2 GLU 4 HB3 GLU 4 -14.369 2.002 -5.392 23 HB3 GLU 4 HB2 GLU 4 -16.070 2.049 -5.859 24 HG2 GLU 4 HG2 GLU 4 -15.639 4.076 -7.211 25 HG3 GLU 4 HG3 GLU 4 -13.934 4.003 -6.762 26 H ARG 5 H ARG 5 -13.639 3.360 -2.784 27 HA ARG 5 HA ARG 5 -12.509 5.924 -2.648 28 HB2 ARG 5 HB3 ARG 5 -11.432 3.165 -2.159 29 HB3 ARG 5 HB2 ARG 5 -10.326 4.539 -2.115 30 HG2 ARG 5 HG3 ARG 5 -11.227 4.070 0.132 31 HG3 ARG 5 HG2 ARG 5 -11.771 5.646 -0.445 32 HD2 ARG 5 HD3 ARG 5 -13.918 4.687 -1.129 33 HD3 ARG 5 HD2 ARG 5 -13.377 3.082 -0.638 34 HE ARG 5 HE ARG 5 -13.102 4.713 1.632 35 HH11 ARG 5 HH21 ARG 5 -15.559 3.677 -0.551 36 HH12 ARG 5 HH22 ARG 5 -16.823 3.741 0.632 37 HH21 ARG 5 HH11 ARG 5 -14.737 4.804 3.189 38 HH22 ARG 5 HH12 ARG 5 -16.358 4.380 2.750 39 H LYS 6 H LYS 6 -10.042 6.243 -3.403 40 HA LYS 6 HA LYS 6 -10.114 5.908 -6.361 41 HB2 LYS 6 HB3 LYS 6 -8.359 7.704 -4.656 42 HB3 LYS 6 HB2 LYS 6 -8.471 7.723 -6.417 43 HG2 LYS 6 HG3 LYS 6 -10.089 9.279 -6.147 44 HG3 LYS 6 HG2 LYS 6 -11.117 7.945 -5.621 45 HD2 LYS 6 HD3 LYS 6 -11.260 9.529 -3.862 46 HD3 LYS 6 HD2 LYS 6 -10.110 8.324 -3.281 47 HE2 LYS 6 HE3 LYS 6 -8.789 10.139 -2.878 48 HE3 LYS 6 HE2 LYS 6 -8.435 10.020 -4.601 49 HZ1 LYS 6 HZ1 LYS 6 -10.866 11.428 -4.092 50 HZ2 LYS 6 HZ2 LYS 6 -9.515 11.900 -5.007 51 HZ3 LYS 6 HZ3 LYS 6 -9.543 12.165 -3.328 52 H ARG 7 H ARG 7 -9.249 3.836 -6.651 53 HA ARG 7 HA ARG 7 -6.917 2.899 -5.212 54 HB2 ARG 7 HB3 ARG 7 -8.293 1.945 -7.737 55 HB3 ARG 7 HB2 ARG 7 -6.905 1.120 -7.025 56 HG2 ARG 7 HG3 ARG 7 -8.149 0.850 -4.908 57 HG3 ARG 7 HG2 ARG 7 -9.540 1.662 -5.626 58 HD2 ARG 7 HD3 ARG 7 -9.692 -0.098 -7.345 59 HD3 ARG 7 HD2 ARG 7 -8.295 -0.912 -6.640 60 HE ARG 7 HE ARG 7 -10.268 -0.558 -4.606 61 HH11 ARG 7 HH21 ARG 7 -9.633 -2.260 -7.536 62 HH12 ARG 7 HH22 ARG 7 -10.605 -3.630 -7.108 63 HH21 ARG 7 HH11 ARG 7 -11.540 -2.335 -4.030 64 HH22 ARG 7 HH12 ARG 7 -11.685 -3.671 -5.123 65 H TRP 8 H TRP 8 -4.867 2.278 -6.448 66 HA TRP 8 HA TRP 8 -4.197 3.782 -8.839 67 HB2 TRP 8 HB3 TRP 8 -3.516 4.863 -6.142 68 HB3 TRP 8 HB2 TRP 8 -2.276 4.968 -7.393 69 HD1 TRP 8 HD1 TRP 8 -3.728 5.682 -9.925 70 HE1 TRP 8 HE1 TRP 8 -5.087 7.857 -10.194 71 HE3 TRP 8 HE3 TRP 8 -4.624 6.774 -5.017 72 HZ2 TRP 8 HZ2 TRP 8 -6.383 9.802 -8.544 73 HZ3 TRP 8 HZ3 TRP 8 -5.921 8.793 -4.395 74 HH2 TRP 8 HH2 TRP 8 -6.801 10.306 -6.151 75 H GLU 9 H GLU 9 -2.254 3.016 -9.735 76 HA GLU 9 HA GLU 9 -1.132 0.627 -8.393 77 HB2 GLU 9 HB3 GLU 9 -0.755 1.774 -11.175 78 HB3 GLU 9 HB2 GLU 9 0.048 0.315 -10.592 79 HG2 GLU 9 HG2 GLU 9 -1.837 -0.590 -11.622 80 HG3 GLU 9 HG3 GLU 9 -2.398 -0.428 -9.957 81 H CYS 10 H CYS 10 0.946 0.554 -7.585 82 HA CYS 10 HA CYS 10 2.543 3.073 -7.817 83 HB2 CYS 10 HB3 CYS 10 1.770 1.445 -5.531 84 HB3 CYS 10 HB2 CYS 10 3.523 1.620 -5.633 85 HG CYS 10 HG CYS 10 2.954 4.306 -5.886 86 HA PRO 11 HA PRO 11 5.042 0.189 -10.305 87 HB2 PRO 11 HB3 PRO 11 6.694 2.677 -10.338 88 HB3 PRO 11 HB2 PRO 11 6.206 1.629 -11.683 89 HG2 PRO 11 HG3 PRO 11 5.053 3.991 -11.282 90 HG3 PRO 11 HG2 PRO 11 4.131 2.595 -11.862 91 HD2 PRO 11 HD3 PRO 11 4.135 3.846 -9.138 92 HD3 PRO 11 HD2 PRO 11 2.822 3.010 -9.997 93 H ALA 12 H ALA 12 6.247 2.362 -7.750 94 HA ALA 12 HA ALA 12 8.760 1.095 -7.330 95 HB1 ALA 12 HB1 ALA 12 7.381 2.068 -4.905 96 HB2 ALA 12 HB2 ALA 12 7.471 3.239 -6.220 97 HB3 ALA 12 HB3 ALA 12 8.947 2.528 -5.571 98 H LEU 13 H LEU 13 5.524 0.129 -6.477 99 HA LEU 13 HA LEU 13 6.465 -1.894 -4.551 100 HB2 LEU 13 HB2 LEU 13 3.830 -0.856 -5.474 101 HB3 LEU 13 HB3 LEU 13 3.873 -2.531 -4.920 102 HG LEU 13 HG LEU 13 4.792 -1.873 -2.783 103 HD11 LEU 13 HD11 LEU 13 5.174 0.740 -4.205 104 HD12 LEU 13 HD12 LEU 13 6.288 -0.132 -3.153 105 HD13 LEU 13 HD13 LEU 13 4.927 0.751 -2.460 106 HD21 LEU 13 HD21 LEU 13 2.433 -1.678 -2.741 107 HD22 LEU 13 HD22 LEU 13 2.448 -0.238 -3.759 108 HD23 LEU 13 HD23 LEU 13 2.995 -0.141 -2.085 109 HA PRO 14 HA PRO 14 7.000 -5.255 -7.324 110 HB2 PRO 14 HB3 PRO 14 5.609 -7.260 -6.002 111 HB3 PRO 14 HB2 PRO 14 7.256 -6.736 -5.602 112 HG2 PRO 14 HG3 PRO 14 4.669 -5.988 -4.330 113 HG3 PRO 14 HG2 PRO 14 6.235 -6.341 -3.581 114 HD2 PRO 14 HD3 PRO 14 5.368 -3.796 -3.879 115 HD3 PRO 14 HD2 PRO 14 7.088 -4.202 -4.068 116 H GLN 15 H GLN 15 5.966 -6.114 -9.128 117 HA GLN 15 HA GLN 15 3.457 -5.148 -9.954 118 HB2 GLN 15 HB3 GLN 15 4.919 -7.673 -10.775 119 HB3 GLN 15 HB2 GLN 15 3.507 -7.036 -11.619 120 HG2 GLN 15 HG2 GLN 15 4.714 -4.906 -12.007 121 HG3 GLN 15 HG3 GLN 15 6.135 -5.579 -11.207 122 HE21 GLN 15 HE21 GLN 15 7.625 -6.119 -12.810 123 HE22 GLN 15 HE22 GLN 15 7.248 -6.922 -14.257 124 H GLY 16 H GLY 16 1.457 -5.589 -9.175 125 HA2 GLY 16 HA2 GLY 16 -0.209 -7.488 -8.932 126 HA3 GLY 16 HA3 GLY 16 1.008 -8.269 -7.922 127 H TRP 17 H TRP 17 1.771 -5.630 -6.721 128 HA TRP 17 HA TRP 17 -0.270 -5.638 -4.608 129 HB2 TRP 17 HB3 TRP 17 2.330 -4.128 -4.970 130 HB3 TRP 17 HB2 TRP 17 1.270 -3.904 -3.578 131 HD1 TRP 17 HD1 TRP 17 2.219 -7.195 -5.364 132 HE1 TRP 17 HE1 TRP 17 3.235 -8.794 -3.617 133 HE3 TRP 17 HE3 TRP 17 2.236 -4.136 -1.275 134 HZ2 TRP 17 HZ2 TRP 17 3.959 -8.779 -0.849 135 HZ3 TRP 17 HZ3 TRP 17 3.094 -4.953 0.902 136 HH2 TRP 17 HH2 TRP 17 3.955 -7.269 1.120 137 H GLU 18 H GLU 18 -1.426 -3.702 -3.955 138 HA GLU 18 HA GLU 18 -1.495 -1.496 -5.940 139 HB2 GLU 18 HB3 GLU 18 -3.880 -3.177 -5.117 140 HB3 GLU 18 HB2 GLU 18 -4.018 -1.616 -5.930 141 HG2 GLU 18 HG2 GLU 18 -2.736 -2.459 -7.836 142 HG3 GLU 18 HG3 GLU 18 -2.498 -4.005 -7.019 143 H ARG 19 H ARG 19 -2.578 0.431 -5.068 144 HA ARG 19 HA ARG 19 -2.785 0.383 -2.082 145 HB2 ARG 19 HB3 ARG 19 -1.898 2.716 -2.119 146 HB3 ARG 19 HB2 ARG 19 -0.735 1.543 -2.737 147 HG2 ARG 19 HG3 ARG 19 -1.286 2.116 -5.029 148 HG3 ARG 19 HG2 ARG 19 -2.597 3.165 -4.493 149 HD2 ARG 19 HD3 ARG 19 -1.004 4.651 -3.387 150 HD3 ARG 19 HD2 ARG 19 0.329 3.577 -3.810 151 HE ARG 19 HE ARG 19 -0.881 4.223 -6.244 152 HH11 ARG 19 HH21 ARG 19 0.530 5.867 -3.564 153 HH12 ARG 19 HH22 ARG 19 1.094 7.205 -4.510 154 HH21 ARG 19 HH11 ARG 19 -0.154 5.960 -7.495 155 HH22 ARG 19 HH12 ARG 19 0.706 7.256 -6.735 156 H GLU 20 H GLU 20 -4.189 2.186 -1.240 157 HA GLU 20 HA GLU 20 -6.192 3.150 -3.214 158 HB2 GLU 20 HB3 GLU 20 -7.050 1.011 -2.268 159 HB3 GLU 20 HB2 GLU 20 -6.919 1.700 -0.649 160 HG2 GLU 20 HG2 GLU 20 -8.492 3.490 -1.271 161 HG3 GLU 20 HG3 GLU 20 -8.618 2.820 -2.898 162 H GLU 21 H GLU 21 -7.050 5.154 -2.663 163 HA GLU 21 HA GLU 21 -5.861 6.427 -0.245 164 HB2 GLU 21 HB3 GLU 21 -5.603 7.419 -2.613 165 HB3 GLU 21 HB2 GLU 21 -7.309 7.851 -2.481 166 HG2 GLU 21 HG2 GLU 21 -6.145 9.767 -1.699 167 HG3 GLU 21 HG3 GLU 21 -6.679 8.942 -0.234 168 H VAL 22 H VAL 22 -7.177 6.695 1.490 169 HA VAL 22 HA VAL 22 -10.125 6.797 0.992 170 HB VAL 22 HB VAL 22 -8.905 5.936 3.607 171 HG11 VAL 22 HG21 VAL 22 -11.408 4.881 2.328 172 HG12 VAL 22 HG22 VAL 22 -11.428 6.478 3.075 173 HG13 VAL 22 HG23 VAL 22 -11.021 5.058 4.040 174 HG21 VAL 22 HG13 VAL 22 -9.326 3.557 2.631 175 HG22 VAL 22 HG11 VAL 22 -7.843 4.396 2.171 176 HG23 VAL 22 HG12 VAL 22 -9.212 4.350 1.061 177 HA PRO 23 HA PRO 23 -9.157 10.983 2.547 178 HB2 PRO 23 HB3 PRO 23 -12.010 11.292 1.770 179 HB3 PRO 23 HB2 PRO 23 -10.606 12.283 1.329 180 HG2 PRO 23 HG3 PRO 23 -11.733 10.651 -0.432 181 HG3 PRO 23 HG2 PRO 23 -9.978 10.874 -0.378 182 HD2 PRO 23 HD3 PRO 23 -11.595 8.552 0.627 183 HD3 PRO 23 HD2 PRO 23 -10.006 8.584 -0.168 184 H ARG 24 H ARG 24 -9.352 11.491 4.692 185 HA ARG 24 HA ARG 24 -11.469 10.188 6.290 186 HB2 ARG 24 HB3 ARG 24 -9.065 11.878 7.029 187 HB3 ARG 24 HB2 ARG 24 -10.232 11.283 8.212 188 HG2 ARG 24 HG3 ARG 24 -9.773 8.965 7.513 189 HG3 ARG 24 HG2 ARG 24 -8.613 9.552 6.320 190 HD2 ARG 24 HD3 ARG 24 -7.247 10.537 8.113 191 HD3 ARG 24 HD2 ARG 24 -8.412 9.984 9.316 192 HE ARG 24 HE ARG 24 -7.654 7.689 7.899 193 HH11 ARG 24 HH21 ARG 24 -6.176 10.192 9.753 194 HH12 ARG 24 HH22 ARG 24 -4.889 9.186 10.331 195 HH21 ARG 24 HH11 ARG 24 -5.984 6.362 8.643 196 HH22 ARG 24 HH12 ARG 24 -4.781 7.018 9.703 197 H ARG 25 H ARG 25 -12.688 11.571 7.882 198 HA ARG 25 HA ARG 25 -13.096 14.360 6.911 199 HB2 ARG 25 HB3 ARG 25 -15.250 12.280 7.385 200 HB3 ARG 25 HB2 ARG 25 -15.575 14.002 7.183 201 HG2 ARG 25 HG3 ARG 25 -14.486 13.943 4.963 202 HG3 ARG 25 HG2 ARG 25 -14.192 12.213 5.161 203 HD2 ARG 25 HD3 ARG 25 -16.944 13.481 5.244 204 HD3 ARG 25 HD2 ARG 25 -16.245 12.734 3.807 205 HE ARG 25 HE ARG 25 -16.064 10.818 5.862 206 HH11 ARG 25 HH21 ARG 25 -18.453 12.636 4.167 207 HH12 ARG 25 HH22 ARG 25 -19.677 11.421 4.318 208 HH21 ARG 25 HH11 ARG 25 -17.648 9.219 6.068 209 HH22 ARG 25 HH12 ARG 25 -19.222 9.486 5.394 210 H SER 26 H SER 26 -11.821 13.037 9.317 211 HA SER 26 HA SER 26 -13.575 13.567 11.568 212 HB2 SER 26 HB3 SER 26 -10.605 13.577 11.893 213 HB3 SER 26 HB2 SER 26 -11.838 12.807 12.887 214 HG SER 26 HG SER 26 -10.683 11.271 11.673 215 H GLY 27 H GLY 27 -12.533 15.155 13.338 216 HA2 GLY 27 HA2 GLY 27 -12.770 17.808 12.235 217 HA3 GLY 27 HA3 GLY 27 -12.315 17.427 13.897 218 H LEU 28 H LEU 28 -10.050 16.943 14.331 219 HA LEU 28 HA LEU 28 -8.238 18.693 12.988 220 HB2 LEU 28 HB2 LEU 28 -7.894 16.421 14.937 221 HB3 LEU 28 HB3 LEU 28 -6.485 17.205 14.222 222 HG LEU 28 HG LEU 28 -7.242 18.188 16.434 223 HD11 LEU 28 HD11 LEU 28 -6.096 19.377 14.310 224 HD12 LEU 28 HD12 LEU 28 -6.488 20.259 15.786 225 HD13 LEU 28 HD13 LEU 28 -7.573 20.336 14.397 226 HD21 LEU 28 HD21 LEU 28 -9.482 19.372 14.779 227 HD22 LEU 28 HD22 LEU 28 -9.255 19.468 16.525 228 HD23 LEU 28 HD23 LEU 28 -9.712 17.937 15.778 229 H SER 29 H SER 29 -8.855 15.213 12.648 230 HA SER 29 HA SER 29 -6.692 14.828 10.738 231 HB2 SER 29 HB3 SER 29 -8.881 12.885 10.620 232 HB3 SER 29 HB2 SER 29 -7.177 12.632 10.985 233 HG SER 29 HG SER 29 -7.598 12.801 13.050 234 H ALA 30 H ALA 30 -8.899 16.892 10.255 235 HA ALA 30 HA ALA 30 -10.422 15.944 7.985 236 HB1 ALA 30 HB1 ALA 30 -10.633 18.517 7.594 237 HB2 ALA 30 HB2 ALA 30 -9.817 18.655 9.152 238 HB3 ALA 30 HB3 ALA 30 -11.367 17.820 9.038 239 H GLY 31 H GLY 31 -9.955 16.161 5.784 240 HA2 GLY 31 HA2 GLY 31 -8.679 16.653 3.859 241 HA3 GLY 31 HA3 GLY 31 -7.634 17.665 4.858 242 H HIS 32 H HIS 32 -7.588 15.060 6.661 243 HA HIS 32 HA HIS 32 -5.038 14.128 5.612 244 HB2 HIS 32 HB2 HIS 32 -6.791 13.211 7.905 245 HB3 HIS 32 HB3 HIS 32 -5.252 12.446 7.511 246 HD1 HIS 32 HD1 HIS 32 -6.666 15.825 8.521 247 HD2 HIS 32 HD2 HIS 32 -3.005 13.829 8.428 248 HE1 HIS 32 HE1 HIS 32 -5.005 17.315 9.724 249 HE2 HIS 32 HE2 HIS 32 -2.774 16.110 9.673 250 H ARG 33 H ARG 33 -4.714 12.424 4.250 251 HA ARG 33 HA ARG 33 -7.087 10.718 3.615 252 HB2 ARG 33 HB3 ARG 33 -4.633 11.332 1.936 253 HB3 ARG 33 HB2 ARG 33 -5.982 10.306 1.441 254 HG2 ARG 33 HG3 ARG 33 -7.527 12.203 1.634 255 HG3 ARG 33 HG2 ARG 33 -6.210 13.237 2.190 256 HD2 ARG 33 HD3 ARG 33 -5.026 12.853 0.042 257 HD3 ARG 33 HD2 ARG 33 -6.384 11.875 -0.514 258 HE ARG 33 HE ARG 33 -6.356 14.807 -0.257 259 HH11 ARG 33 HH21 ARG 33 -8.128 11.869 -0.602 260 HH12 ARG 33 HH22 ARG 33 -9.530 12.637 -1.267 261 HH21 ARG 33 HH11 ARG 33 -8.178 15.827 -1.121 262 HH22 ARG 33 HH12 ARG 33 -9.559 14.879 -1.561 263 H ASP 34 H ASP 34 -6.953 8.672 4.383 264 HA ASP 34 HA ASP 34 -4.380 7.628 5.348 265 HB2 ASP 34 HB2 ASP 34 -6.579 7.272 6.549 266 HB3 ASP 34 HB3 ASP 34 -7.053 6.205 5.226 267 H VAL 35 H VAL 35 -3.159 6.073 4.315 268 HA VAL 35 HA VAL 35 -4.154 5.187 1.640 269 HB VAL 35 HB VAL 35 -1.284 5.345 2.605 270 HG11 VAL 35 HG21 VAL 35 -1.525 3.769 0.802 271 HG12 VAL 35 HG22 VAL 35 -0.878 5.252 0.102 272 HG13 VAL 35 HG23 VAL 35 -2.587 4.860 -0.086 273 HG21 VAL 35 HG13 VAL 35 -2.713 7.241 0.722 274 HG22 VAL 35 HG11 VAL 35 -1.100 7.422 1.411 275 HG23 VAL 35 HG12 VAL 35 -2.521 7.568 2.445 276 H PHE 36 H PHE 36 -4.517 3.031 1.396 277 HA PHE 36 HA PHE 36 -3.293 1.188 3.413 278 HB2 PHE 36 HB3 PHE 36 -5.992 1.171 2.063 279 HB3 PHE 36 HB2 PHE 36 -5.306 -0.300 2.751 280 HD1 PHE 36 HD2 PHE 36 -6.568 3.086 3.499 281 HD2 PHE 36 HD1 PHE 36 -5.024 -0.566 5.150 282 HE1 PHE 36 HE2 PHE 36 -7.293 3.803 5.760 283 HE2 PHE 36 HE1 PHE 36 -5.749 0.150 7.412 284 HZ PHE 36 HZ PHE 36 -6.882 2.334 7.717 285 H TYR 37 H TYR 37 -2.425 -0.776 2.620 286 HA TYR 37 HA TYR 37 -2.123 -0.881 -0.356 287 HB2 TYR 37 HB3 TYR 37 -0.184 -1.741 1.812 288 HB3 TYR 37 HB2 TYR 37 0.061 -2.007 0.087 289 HD1 TYR 37 HD2 TYR 37 -0.225 0.563 2.736 290 HD2 TYR 37 HD1 TYR 37 0.673 -0.203 -1.394 291 HE1 TYR 37 HE2 TYR 37 0.694 2.856 2.510 292 HE2 TYR 37 HE1 TYR 37 1.591 2.089 -1.620 293 HH TYR 37 HH TYR 37 1.244 4.465 0.921 294 H TYR 38 H TYR 38 -2.225 -2.972 -1.326 295 HA TYR 38 HA TYR 38 -3.165 -5.166 0.468 296 HB2 TYR 38 HB3 TYR 38 -4.390 -4.599 -2.238 297 HB3 TYR 38 HB2 TYR 38 -4.986 -5.688 -0.986 298 HD1 TYR 38 HD2 TYR 38 -4.428 -2.116 -1.851 299 HD2 TYR 38 HD1 TYR 38 -6.317 -4.888 0.833 300 HE1 TYR 38 HE2 TYR 38 -5.748 -0.262 -0.867 301 HE2 TYR 38 HE1 TYR 38 -7.637 -3.033 1.818 302 HH TYR 38 HH TYR 38 -8.384 -0.508 0.686 303 H SER 39 H SER 39 -2.509 -7.240 -0.184 304 HA SER 39 HA SER 39 -0.524 -7.282 -2.409 305 HB2 SER 39 HB3 SER 39 0.050 -9.556 -1.308 306 HB3 SER 39 HB2 SER 39 0.501 -8.091 -0.440 307 HG SER 39 HG SER 39 -1.717 -8.373 0.530 308 HA PRO 40 HA PRO 40 -2.948 -9.794 -5.099 309 HB2 PRO 40 HB3 PRO 40 -1.183 -11.922 -5.522 310 HB3 PRO 40 HB2 PRO 40 -1.188 -10.390 -6.416 311 HG2 PRO 40 HG3 PRO 40 0.497 -11.231 -4.111 312 HG3 PRO 40 HG2 PRO 40 0.936 -10.298 -5.551 313 HD2 PRO 40 HD3 PRO 40 0.556 -9.049 -3.188 314 HD3 PRO 40 HD2 PRO 40 -0.014 -8.296 -4.692 315 H SER 41 H SER 41 -1.737 -11.089 -2.128 316 HA SER 41 HA SER 41 -3.297 -13.580 -2.328 317 HB2 SER 41 HB3 SER 41 -1.980 -12.471 0.155 318 HB3 SER 41 HB2 SER 41 -2.357 -14.150 -0.216 319 HG SER 41 HG SER 41 -0.722 -12.766 -1.996 320 H GLY 42 H GLY 42 -4.056 -10.405 -1.744 321 HA2 GLY 42 HA2 GLY 42 -6.193 -9.567 -1.115 322 HA3 GLY 42 HA3 GLY 42 -6.615 -11.170 -0.512 323 H LYS 43 H LYS 43 -3.583 -10.350 0.640 324 HA LYS 43 HA LYS 43 -4.593 -10.020 3.349 325 HB2 LYS 43 HB3 LYS 43 -2.438 -11.194 2.757 326 HB3 LYS 43 HB2 LYS 43 -1.761 -9.617 2.348 327 HG2 LYS 43 HG3 LYS 43 -2.327 -8.838 4.666 328 HG3 LYS 43 HG2 LYS 43 -2.822 -10.487 5.051 329 HD2 LYS 43 HD3 LYS 43 -0.593 -11.325 4.625 330 HD3 LYS 43 HD2 LYS 43 -0.071 -9.754 4.015 331 HE2 LYS 43 HE3 LYS 43 0.725 -9.699 6.211 332 HE3 LYS 43 HE2 LYS 43 -0.832 -8.890 6.372 333 HZ1 LYS 43 HZ1 LYS 43 -0.458 -10.620 8.061 334 HZ2 LYS 43 HZ2 LYS 43 -0.387 -11.789 6.832 335 HZ3 LYS 43 HZ3 LYS 43 -1.825 -10.926 7.107 336 H LYS 44 H LYS 44 -5.293 -8.103 4.144 337 HA LYS 44 HA LYS 44 -4.461 -5.596 2.803 338 HB2 LYS 44 HB3 LYS 44 -6.863 -5.954 3.289 339 HB3 LYS 44 HB2 LYS 44 -6.489 -6.066 5.009 340 HG2 LYS 44 HG3 LYS 44 -5.581 -3.772 4.966 341 HG3 LYS 44 HG2 LYS 44 -5.956 -3.657 3.246 342 HD2 LYS 44 HD3 LYS 44 -8.353 -4.018 3.753 343 HD3 LYS 44 HD2 LYS 44 -7.969 -4.091 5.473 344 HE2 LYS 44 HE3 LYS 44 -7.073 -1.794 5.376 345 HE3 LYS 44 HE2 LYS 44 -7.456 -1.717 3.656 346 HZ1 LYS 44 HZ1 LYS 44 -9.700 -1.672 4.064 347 HZ2 LYS 44 HZ2 LYS 44 -9.119 -0.787 5.391 348 HZ3 LYS 44 HZ3 LYS 44 -9.564 -2.414 5.583 349 H PHE 45 H PHE 45 -2.778 -4.457 3.621 350 HA PHE 45 HA PHE 45 -2.384 -4.426 6.568 351 HB2 PHE 45 HB3 PHE 45 0.162 -4.521 5.995 352 HB3 PHE 45 HB2 PHE 45 -0.753 -6.028 6.029 353 HD1 PHE 45 HD2 PHE 45 0.261 -3.282 3.687 354 HD2 PHE 45 HD1 PHE 45 -0.734 -7.434 4.157 355 HE1 PHE 45 HE2 PHE 45 0.846 -3.692 1.312 356 HE2 PHE 45 HE1 PHE 45 -0.151 -7.844 1.781 357 HZ PHE 45 HZ PHE 45 0.640 -5.971 0.358 358 H ARG 46 H ARG 46 -1.384 -2.485 7.317 359 HA ARG 46 HA ARG 46 -1.050 -0.374 5.224 360 HB2 ARG 46 HB3 ARG 46 -3.140 -0.056 6.528 361 HB3 ARG 46 HB2 ARG 46 -2.190 -0.026 8.014 362 HG2 ARG 46 HG3 ARG 46 -0.914 1.921 7.112 363 HG3 ARG 46 HG2 ARG 46 -1.975 1.927 5.704 364 HD2 ARG 46 HD3 ARG 46 -2.835 3.551 7.271 365 HD3 ARG 46 HD2 ARG 46 -3.931 2.168 7.280 366 HE ARG 46 HE ARG 46 -3.240 1.686 9.500 367 HH11 ARG 46 HH21 ARG 46 -1.246 4.029 7.945 368 HH12 ARG 46 HH22 ARG 46 -0.397 4.463 9.392 369 HH21 ARG 46 HH11 ARG 46 -2.143 2.237 11.398 370 HH22 ARG 46 HH12 ARG 46 -0.905 3.446 11.346 371 H SER 47 H SER 47 -0.476 -0.511 8.750 372 HA SER 47 HA SER 47 1.629 1.009 9.226 373 HB2 SER 47 HB3 SER 47 2.270 -1.840 9.845 374 HB3 SER 47 HB2 SER 47 2.335 -0.425 10.891 375 HG SER 47 HG SER 47 0.467 -2.193 10.856 376 H LYS 48 H LYS 48 3.594 1.487 8.349 377 HA LYS 48 HA LYS 48 4.470 0.233 5.918 378 HB2 LYS 48 HB3 LYS 48 5.104 2.562 7.325 379 HB3 LYS 48 HB2 LYS 48 6.592 1.617 7.363 380 HG2 LYS 48 HG3 LYS 48 6.366 1.283 4.882 381 HG3 LYS 48 HG2 LYS 48 5.001 2.400 4.906 382 HD2 LYS 48 HD3 LYS 48 6.376 4.215 5.637 383 HD3 LYS 48 HD2 LYS 48 7.724 3.136 5.997 384 HE2 LYS 48 HE3 LYS 48 6.594 3.756 3.252 385 HE3 LYS 48 HE2 LYS 48 8.163 4.260 3.882 386 HZ1 LYS 48 HZ1 LYS 48 8.817 2.400 2.812 387 HZ2 LYS 48 HZ2 LYS 48 7.294 1.653 2.919 388 HZ3 LYS 48 HZ3 LYS 48 8.338 1.653 4.259 389 HA PRO 49 HA PRO 49 7.825 -1.627 9.049 390 HB2 PRO 49 HB3 PRO 49 5.885 -2.106 11.264 391 HB3 PRO 49 HB2 PRO 49 7.593 -1.630 11.341 392 HG2 PRO 49 HG3 PRO 49 5.665 0.120 11.835 393 HG3 PRO 49 HG2 PRO 49 7.131 0.591 10.959 394 HD2 PRO 49 HD3 PRO 49 4.376 0.073 9.878 395 HD3 PRO 49 HD2 PRO 49 5.576 1.266 9.337 396 H GLN 50 H GLN 50 4.443 -2.728 9.509 397 HA GLN 50 HA GLN 50 5.112 -5.527 9.383 398 HB2 GLN 50 HB3 GLN 50 2.827 -5.914 9.560 399 HB3 GLN 50 HB2 GLN 50 2.927 -4.282 10.221 400 HG2 GLN 50 HG2 GLN 50 2.532 -3.456 7.824 401 HG3 GLN 50 HG3 GLN 50 2.071 -5.116 7.447 402 HE21 GLN 50 HE21 GLN 50 1.225 -4.759 10.624 403 HE22 GLN 50 HE22 GLN 50 -0.380 -4.238 10.440 404 H LEU 51 H LEU 51 4.216 -3.119 6.959 405 HA LEU 51 HA LEU 51 3.740 -4.917 4.791 406 HB2 LEU 51 HB2 LEU 51 3.134 -2.550 4.650 407 HB3 LEU 51 HB3 LEU 51 4.833 -2.088 4.765 408 HG LEU 51 HG LEU 51 4.183 -4.040 2.632 409 HD11 LEU 51 HD11 LEU 51 3.384 -1.123 2.389 410 HD12 LEU 51 HD12 LEU 51 2.245 -2.458 2.565 411 HD13 LEU 51 HD13 LEU 51 3.266 -2.354 1.130 412 HD21 LEU 51 HD21 LEU 51 6.387 -2.683 3.266 413 HD22 LEU 51 HD22 LEU 51 5.632 -1.446 2.260 414 HD23 LEU 51 HD23 LEU 51 5.991 -3.035 1.583 415 H ALA 52 H ALA 52 6.725 -3.324 5.914 416 HA ALA 52 HA ALA 52 8.381 -4.456 3.836 417 HB1 ALA 52 HB1 ALA 52 10.231 -3.897 5.593 418 HB2 ALA 52 HB2 ALA 52 8.916 -3.138 6.490 419 HB3 ALA 52 HB3 ALA 52 9.322 -2.569 4.871 420 H ARG 53 H ARG 53 7.595 -5.433 7.164 421 HA ARG 53 HA ARG 53 9.404 -7.609 7.371 422 HB2 ARG 53 HB3 ARG 53 8.052 -6.727 9.266 423 HB3 ARG 53 HB2 ARG 53 6.606 -7.417 8.527 424 HG2 ARG 53 HG3 ARG 53 7.617 -9.669 8.655 425 HG3 ARG 53 HG2 ARG 53 9.051 -8.976 9.413 426 HD2 ARG 53 HD3 ARG 53 7.565 -9.883 11.135 427 HD3 ARG 53 HD2 ARG 53 7.629 -8.125 11.269 428 HE ARG 53 HE ARG 53 5.365 -8.021 10.517 429 HH11 ARG 53 HH21 ARG 53 6.746 -11.175 10.338 430 HH12 ARG 53 HH22 ARG 53 5.231 -11.967 10.060 431 HH21 ARG 53 HH11 ARG 53 3.379 -9.038 10.155 432 HH22 ARG 53 HH12 ARG 53 3.324 -10.758 9.957 433 H TYR 54 H TYR 54 6.080 -7.499 6.082 434 HA TYR 54 HA TYR 54 5.839 -10.271 5.489 435 HB2 TYR 54 HB3 TYR 54 3.934 -8.705 5.386 436 HB3 TYR 54 HB2 TYR 54 4.665 -7.905 3.995 437 HD1 TYR 54 HD1 TYR 54 4.944 -9.140 1.841 438 HD2 TYR 54 HD2 TYR 54 2.794 -10.808 5.164 439 HE1 TYR 54 HE1 TYR 54 3.915 -10.817 0.333 440 HE2 TYR 54 HE2 TYR 54 1.764 -12.484 3.656 441 HH TYR 54 HH TYR 54 2.473 -12.492 0.160 442 H LEU 55 H LEU 55 6.924 -7.584 3.382 443 HA LEU 55 HA LEU 55 7.580 -9.172 1.125 444 HB2 LEU 55 HB2 LEU 55 8.746 -6.576 2.159 445 HB3 LEU 55 HB3 LEU 55 9.225 -7.290 0.619 446 HG LEU 55 HG LEU 55 6.359 -6.647 1.365 447 HD11 LEU 55 HD11 LEU 55 7.873 -4.630 1.150 448 HD12 LEU 55 HD12 LEU 55 6.554 -4.682 -0.018 449 HD13 LEU 55 HD13 LEU 55 8.187 -5.128 -0.513 450 HD21 LEU 55 HD21 LEU 55 6.152 -8.194 -0.332 451 HD22 LEU 55 HD22 LEU 55 7.754 -7.848 -0.983 452 HD23 LEU 55 HD23 LEU 55 6.411 -6.754 -1.318 453 H GLY 56 H GLY 56 9.559 -8.263 3.948 454 HA2 GLY 56 HA2 GLY 56 11.470 -9.300 4.833 455 HA3 GLY 56 HA3 GLY 56 11.040 -10.718 3.877 456 H GLY 57 H GLY 57 12.715 -7.599 3.742 457 HA2 GLY 57 HA2 GLY 57 14.320 -6.809 2.202 458 HA3 GLY 57 HA3 GLY 57 14.972 -8.440 2.378 459 H SER 58 H SER 58 12.459 -6.638 0.587 460 HA SER 58 HA SER 58 12.934 -8.520 -1.690 461 HB2 SER 58 HB3 SER 58 10.397 -6.945 -1.209 462 HB3 SER 58 HB2 SER 58 10.643 -8.274 -2.339 463 HG SER 58 HG SER 58 11.223 -9.472 -0.297 464 H MET 59 H MET 59 12.677 -5.202 -0.627 465 HA MET 59 HA MET 59 14.082 -4.252 -2.969 466 HB2 MET 59 HB3 MET 59 11.985 -2.623 -3.412 467 HB3 MET 59 HB2 MET 59 12.184 -4.155 -4.264 468 HG2 MET 59 HG3 MET 59 10.559 -5.227 -3.002 469 HG3 MET 59 HG2 MET 59 10.788 -4.165 -1.614 470 HE1 MET 59 HE1 MET 59 10.339 -3.363 -5.434 471 HE2 MET 59 HE2 MET 59 8.589 -3.194 -5.529 472 HE3 MET 59 HE3 MET 59 9.294 -4.742 -5.067 473 H ASP 60 H ASP 60 14.488 -1.896 -2.807 474 HA ASP 60 HA ASP 60 14.692 -1.073 -0.004 475 HB2 ASP 60 HB2 ASP 60 16.460 -0.650 -1.785 476 HB3 ASP 60 HB3 ASP 60 15.375 0.568 -2.455 477 H LEU 61 H LEU 61 12.529 -0.703 0.664 478 HA LEU 61 HA LEU 61 11.003 1.368 -0.834 479 HB2 LEU 61 HB2 LEU 61 10.171 -0.518 1.391 480 HB3 LEU 61 HB3 LEU 61 9.106 0.668 0.634 481 HG LEU 61 HG LEU 61 10.555 -1.535 -0.863 482 HD11 LEU 61 HD11 LEU 61 7.788 -1.337 0.315 483 HD12 LEU 61 HD12 LEU 61 8.933 -2.676 0.405 484 HD13 LEU 61 HD13 LEU 61 8.090 -2.337 -1.106 485 HD21 LEU 61 HD21 LEU 61 8.592 -0.796 -2.501 486 HD22 LEU 61 HD22 LEU 61 10.123 0.078 -2.475 487 HD23 LEU 61 HD23 LEU 61 8.729 0.720 -1.608 488 H SER 62 H SER 62 13.212 1.236 1.615 489 HA SER 62 HA SER 62 12.145 2.772 3.724 490 HB2 SER 62 HB3 SER 62 14.323 1.945 4.077 491 HB3 SER 62 HB2 SER 62 14.907 2.565 2.535 492 HG SER 62 HG SER 62 13.888 4.482 4.218 493 H THR 63 H THR 63 13.188 3.760 0.512 494 HA THR 63 HA THR 63 12.846 6.617 1.203 495 HB THR 63 HB THR 63 13.623 7.036 -1.092 496 HG1 THR 63 HG1 THR 63 13.723 4.212 -1.311 497 HG21 THR 63 HG21 THR 63 15.267 6.559 0.739 498 HG22 THR 63 HG22 THR 63 15.865 6.138 -0.865 499 HG23 THR 63 HG23 THR 63 15.290 4.873 0.222 500 H PHE 64 H PHE 64 10.700 4.309 0.780 501 HA PHE 64 HA PHE 64 9.057 5.534 -1.337 502 HB2 PHE 64 HB3 PHE 64 9.100 3.071 -1.054 503 HB3 PHE 64 HB2 PHE 64 8.431 3.256 0.568 504 HD1 PHE 64 HD1 PHE 64 7.744 4.298 -2.972 505 HD2 PHE 64 HD2 PHE 64 6.115 3.177 0.841 506 HE1 PHE 64 HE1 PHE 64 5.455 4.382 -3.925 507 HE2 PHE 64 HE2 PHE 64 3.827 3.259 -0.112 508 HZ PHE 64 HZ PHE 64 3.497 3.862 -2.496 509 H ASP 65 H ASP 65 7.434 6.986 -0.953 510 HA ASP 65 HA ASP 65 7.077 7.968 1.788 511 HB2 ASP 65 HB2 ASP 65 7.180 9.535 -0.137 512 HB3 ASP 65 HB3 ASP 65 5.709 8.810 -0.787 513 H PHE 66 H PHE 66 5.673 6.935 3.120 514 HA PHE 66 HA PHE 66 3.604 5.169 2.093 515 HB2 PHE 66 HB3 PHE 66 4.558 4.534 4.180 516 HB3 PHE 66 HB2 PHE 66 4.337 6.148 4.857 517 HD1 PHE 66 HD2 PHE 66 2.671 2.992 3.947 518 HD2 PHE 66 HD1 PHE 66 2.143 6.920 5.604 519 HE1 PHE 66 HE2 PHE 66 0.435 2.334 4.795 520 HE2 PHE 66 HE1 PHE 66 -0.094 6.261 6.452 521 HZ PHE 66 HZ PHE 66 -0.947 3.969 6.047 522 H ARG 67 H ARG 67 3.588 8.321 3.779 523 HA ARG 67 HA ARG 67 0.790 8.670 3.920 524 HB2 ARG 67 HB3 ARG 67 2.978 10.730 3.508 525 HB3 ARG 67 HB2 ARG 67 1.308 11.126 3.916 526 HG2 ARG 67 HG3 ARG 67 2.835 9.161 5.603 527 HG3 ARG 67 HG2 ARG 67 3.064 10.893 5.845 528 HD2 ARG 67 HD3 ARG 67 0.984 11.177 6.735 529 HD3 ARG 67 HD2 ARG 67 0.246 10.018 5.630 530 HE ARG 67 HE ARG 67 0.628 8.318 7.233 531 HH11 ARG 67 HH21 ARG 67 2.394 11.202 7.908 532 HH12 ARG 67 HH22 ARG 67 2.920 10.673 9.472 533 HH21 ARG 67 HH11 ARG 67 1.304 7.611 9.270 534 HH22 ARG 67 HH12 ARG 67 2.302 8.640 10.244 535 H THR 68 H THR 68 3.038 9.436 1.266 536 HA THR 68 HA THR 68 0.716 10.200 -0.428 537 HB THR 68 HB THR 68 2.338 11.130 -1.959 538 HG1 THR 68 HG1 THR 68 3.953 9.659 -1.941 539 HG21 THR 68 HG21 THR 68 3.671 12.606 -0.352 540 HG22 THR 68 HG22 THR 68 2.934 11.675 0.953 541 HG23 THR 68 HG23 THR 68 1.920 12.614 -0.142 542 H GLY 69 H GLY 69 2.763 7.548 0.219 543 HA2 GLY 69 HA2 GLY 69 2.948 5.446 -0.805 544 HA3 GLY 69 HA3 GLY 69 1.440 5.832 -1.633 545 H LYS 70 H LYS 70 4.537 7.561 -1.845 546 HA LYS 70 HA LYS 70 4.762 6.659 -4.680 547 HB2 LYS 70 HB3 LYS 70 4.922 9.508 -3.655 548 HB3 LYS 70 HB2 LYS 70 5.433 9.015 -5.271 549 HG2 LYS 70 HG3 LYS 70 3.168 8.175 -5.744 550 HG3 LYS 70 HG2 LYS 70 2.649 8.644 -4.124 551 HD2 LYS 70 HD3 LYS 70 3.210 11.003 -4.640 552 HD3 LYS 70 HD2 LYS 70 3.677 10.523 -6.273 553 HE2 LYS 70 HE3 LYS 70 0.937 9.915 -5.154 554 HE3 LYS 70 HE2 LYS 70 1.291 11.432 -5.981 555 HZ1 LYS 70 HZ1 LYS 70 0.828 10.303 -7.829 556 HZ2 LYS 70 HZ2 LYS 70 0.944 8.793 -7.062 557 HZ3 LYS 70 HZ3 LYS 70 2.343 9.568 -7.635 558 H MET 71 H MET 71 6.954 6.735 -5.498 559 HA MET 71 HA MET 71 8.958 6.390 -3.363 560 HB2 MET 71 HB3 MET 71 8.822 4.804 -5.291 561 HB3 MET 71 HB2 MET 71 9.271 6.126 -6.370 562 HG2 MET 71 HG3 MET 71 11.411 6.382 -5.284 563 HG3 MET 71 HG2 MET 71 10.954 5.256 -4.005 564 HE1 MET 71 HE1 MET 71 11.702 1.912 -5.131 565 HE2 MET 71 HE2 MET 71 10.675 2.924 -4.119 566 HE3 MET 71 HE3 MET 71 12.423 3.142 -4.085 567 H LEU 72 H LEU 72 10.332 7.995 -2.767 568 HA LEU 72 HA LEU 72 10.889 10.173 -4.731 569 HB2 LEU 72 HB2 LEU 72 10.200 10.496 -1.795 570 HB3 LEU 72 HB3 LEU 72 10.803 11.794 -2.826 571 HG LEU 72 HG LEU 72 8.303 10.189 -3.421 572 HD11 LEU 72 HD11 LEU 72 7.169 12.384 -2.776 573 HD12 LEU 72 HD12 LEU 72 8.704 12.852 -2.043 574 HD13 LEU 72 HD13 LEU 72 7.830 11.443 -1.440 575 HD21 LEU 72 HD21 LEU 72 7.999 12.422 -4.818 576 HD22 LEU 72 HD22 LEU 72 8.963 11.093 -5.458 577 HD23 LEU 72 HD23 LEU 72 9.758 12.474 -4.705 Start of MODEL 5 1 H1 GLY 1 H1 GLY 1 -22.572 7.856 -9.685 2 H2 GLY 1 H2 GLY 1 -23.342 6.503 -9.003 3 H3 GLY 1 H3 GLY 1 -21.843 6.326 -9.783 4 HA2 GLY 1 HA2 GLY 1 -22.526 7.254 -7.036 5 HA3 GLY 1 HA3 GLY 1 -21.024 6.536 -7.693 6 H SER 2 H SER 2 -20.728 8.422 -5.872 7 HA SER 2 HA SER 2 -19.150 10.350 -7.357 8 HB2 SER 2 HB3 SER 2 -18.190 10.859 -5.073 9 HB3 SER 2 HB2 SER 2 -19.944 10.975 -5.170 10 HG SER 2 HG SER 2 -18.557 8.636 -4.363 11 H MET 3 H MET 3 -16.744 10.495 -7.130 12 HA MET 3 HA MET 3 -15.537 7.868 -7.647 13 HB2 MET 3 HB3 MET 3 -14.429 10.689 -7.673 14 HB3 MET 3 HB2 MET 3 -13.460 9.260 -8.039 15 HG2 MET 3 HG3 MET 3 -15.027 8.676 -9.864 16 HG3 MET 3 HG2 MET 3 -15.968 10.126 -9.511 17 HE1 MET 3 HE1 MET 3 -14.475 12.979 -10.658 18 HE2 MET 3 HE2 MET 3 -13.457 12.653 -9.258 19 HE3 MET 3 HE3 MET 3 -15.160 12.201 -9.224 20 H GLU 4 H GLU 4 -16.220 7.453 -5.201 21 HA GLU 4 HA GLU 4 -14.254 8.512 -3.277 22 HB2 GLU 4 HB3 GLU 4 -15.510 7.217 -1.616 23 HB3 GLU 4 HB2 GLU 4 -16.623 8.163 -2.606 24 HG2 GLU 4 HG2 GLU 4 -17.013 6.164 -4.034 25 HG3 GLU 4 HG3 GLU 4 -15.965 5.226 -2.971 26 H ARG 5 H ARG 5 -12.810 7.096 -2.083 27 HA ARG 5 HA ARG 5 -11.151 5.436 -2.025 28 HB2 ARG 5 HB3 ARG 5 -13.127 4.053 -1.453 29 HB3 ARG 5 HB2 ARG 5 -13.408 3.761 -3.169 30 HG2 ARG 5 HG3 ARG 5 -11.196 2.696 -3.363 31 HG3 ARG 5 HG2 ARG 5 -10.899 2.995 -1.649 32 HD2 ARG 5 HD3 ARG 5 -11.679 0.693 -1.969 33 HD3 ARG 5 HD2 ARG 5 -12.888 1.621 -1.084 34 HE ARG 5 HE ARG 5 -13.435 1.739 -3.904 35 HH11 ARG 5 HH21 ARG 5 -13.501 -0.314 -1.134 36 HH12 ARG 5 HH22 ARG 5 -14.815 -1.282 -1.718 37 HH21 ARG 5 HH11 ARG 5 -15.150 0.487 -4.682 38 HH22 ARG 5 HH12 ARG 5 -15.747 -0.828 -3.727 39 H LYS 6 H LYS 6 -9.558 5.870 -3.502 40 HA LYS 6 HA LYS 6 -10.050 4.994 -6.322 41 HB2 LYS 6 HB3 LYS 6 -7.991 7.066 -5.607 42 HB3 LYS 6 HB2 LYS 6 -8.840 6.824 -7.135 43 HG2 LYS 6 HG3 LYS 6 -10.115 8.573 -6.419 44 HG3 LYS 6 HG2 LYS 6 -10.937 7.335 -5.470 45 HD2 LYS 6 HD3 LYS 6 -9.416 7.787 -3.571 46 HD3 LYS 6 HD2 LYS 6 -8.621 9.045 -4.518 47 HE2 LYS 6 HE3 LYS 6 -10.742 10.282 -4.679 48 HE3 LYS 6 HE2 LYS 6 -11.558 9.016 -3.760 49 HZ1 LYS 6 HZ1 LYS 6 -9.354 10.761 -2.810 50 HZ2 LYS 6 HZ2 LYS 6 -9.988 9.452 -1.931 51 HZ3 LYS 6 HZ3 LYS 6 -10.967 10.792 -2.291 52 H ARG 7 H ARG 7 -8.924 3.142 -6.667 53 HA ARG 7 HA ARG 7 -6.433 2.664 -5.123 54 HB2 ARG 7 HB3 ARG 7 -8.253 0.905 -5.292 55 HB3 ARG 7 HB2 ARG 7 -7.858 0.765 -7.005 56 HG2 ARG 7 HG3 ARG 7 -5.372 0.583 -5.894 57 HG3 ARG 7 HG2 ARG 7 -6.352 -0.178 -4.641 58 HD2 ARG 7 HD3 ARG 7 -5.800 -1.963 -6.090 59 HD3 ARG 7 HD2 ARG 7 -7.436 -1.515 -6.571 60 HE ARG 7 HE ARG 7 -5.245 -0.215 -8.063 61 HH11 ARG 7 HH21 ARG 7 -7.638 -2.682 -7.797 62 HH12 ARG 7 HH22 ARG 7 -7.684 -3.007 -9.498 63 HH21 ARG 7 HH11 ARG 7 -5.292 -0.624 -10.286 64 HH22 ARG 7 HH12 ARG 7 -6.355 -1.841 -10.908 65 H TRP 8 H TRP 8 -4.553 3.259 -6.078 66 HA TRP 8 HA TRP 8 -4.447 3.330 -9.061 67 HB2 TRP 8 HB3 TRP 8 -2.858 4.757 -6.919 68 HB3 TRP 8 HB2 TRP 8 -2.337 4.716 -8.605 69 HD1 TRP 8 HD1 TRP 8 -4.769 5.226 -10.261 70 HE1 TRP 8 HE1 TRP 8 -6.184 7.371 -10.074 71 HE3 TRP 8 HE3 TRP 8 -3.444 6.749 -5.571 72 HZ2 TRP 8 HZ2 TRP 8 -6.688 9.460 -8.185 73 HZ3 TRP 8 HZ3 TRP 8 -4.406 8.818 -4.602 74 HH2 TRP 8 HH2 TRP 8 -6.024 10.173 -5.902 75 H GLU 9 H GLU 9 -2.498 2.479 -10.090 76 HA GLU 9 HA GLU 9 -1.645 -0.031 -8.918 77 HB2 GLU 9 HB3 GLU 9 -1.868 0.290 -11.367 78 HB3 GLU 9 HB2 GLU 9 -0.542 1.454 -11.323 79 HG2 GLU 9 HG2 GLU 9 0.973 -0.283 -10.464 80 HG3 GLU 9 HG3 GLU 9 -0.348 -1.452 -10.478 81 H CYS 10 H CYS 10 0.458 -0.566 -8.153 82 HA CYS 10 HA CYS 10 2.041 1.802 -7.261 83 HB2 CYS 10 HB3 CYS 10 1.951 -1.035 -6.189 84 HB3 CYS 10 HB2 CYS 10 2.986 0.246 -5.560 85 HG CYS 10 HG CYS 10 -0.140 0.394 -5.451 86 HA PRO 11 HA PRO 11 4.839 0.118 -10.398 87 HB2 PRO 11 HB3 PRO 11 6.255 2.426 -10.735 88 HB3 PRO 11 HB2 PRO 11 4.681 2.136 -11.501 89 HG2 PRO 11 HG3 PRO 11 5.356 3.780 -9.128 90 HG3 PRO 11 HG2 PRO 11 4.129 4.042 -10.376 91 HD2 PRO 11 HD3 PRO 11 3.627 3.048 -7.834 92 HD3 PRO 11 HD2 PRO 11 2.540 2.828 -9.224 93 H ALA 12 H ALA 12 5.568 1.613 -7.330 94 HA ALA 12 HA ALA 12 8.423 0.927 -7.446 95 HB1 ALA 12 HB1 ALA 12 8.400 1.701 -5.055 96 HB2 ALA 12 HB2 ALA 12 6.664 1.971 -5.207 97 HB3 ALA 12 HB3 ALA 12 7.790 2.906 -6.189 98 H LEU 13 H LEU 13 5.457 -0.365 -6.019 99 HA LEU 13 HA LEU 13 6.903 -2.462 -4.565 100 HB2 LEU 13 HB2 LEU 13 3.978 -1.859 -5.031 101 HB3 LEU 13 HB3 LEU 13 4.507 -3.334 -4.221 102 HG LEU 13 HG LEU 13 5.530 -2.114 -2.447 103 HD11 LEU 13 HD11 LEU 13 6.671 -0.382 -3.650 104 HD12 LEU 13 HD12 LEU 13 5.561 0.434 -2.549 105 HD13 LEU 13 HD13 LEU 13 5.156 0.284 -4.259 106 HD21 LEU 13 HD21 LEU 13 3.081 -2.205 -2.284 107 HD22 LEU 13 HD22 LEU 13 2.947 -0.720 -3.231 108 HD23 LEU 13 HD23 LEU 13 3.672 -0.682 -1.623 109 HA PRO 14 HA PRO 14 7.198 -5.613 -7.616 110 HB2 PRO 14 HB3 PRO 14 5.648 -7.373 -5.770 111 HB3 PRO 14 HB2 PRO 14 7.234 -7.641 -6.520 112 HG2 PRO 14 HG3 PRO 14 6.999 -7.000 -3.944 113 HG3 PRO 14 HG2 PRO 14 8.344 -6.409 -4.935 114 HD2 PRO 14 HD3 PRO 14 5.955 -4.915 -3.935 115 HD3 PRO 14 HD2 PRO 14 7.600 -4.338 -4.276 116 H GLN 15 H GLN 15 5.979 -6.293 -9.375 117 HA GLN 15 HA GLN 15 3.450 -5.296 -9.937 118 HB2 GLN 15 HB3 GLN 15 4.625 -7.938 -10.858 119 HB3 GLN 15 HB2 GLN 15 3.238 -7.140 -11.603 120 HG2 GLN 15 HG2 GLN 15 4.957 -6.340 -12.944 121 HG3 GLN 15 HG3 GLN 15 4.888 -5.076 -11.716 122 HE21 GLN 15 HE21 GLN 15 6.759 -4.742 -10.457 123 HE22 GLN 15 HE22 GLN 15 8.128 -5.745 -10.503 124 H GLY 16 H GLY 16 1.490 -5.637 -9.017 125 HA2 GLY 16 HA2 GLY 16 -0.218 -7.459 -8.547 126 HA3 GLY 16 HA3 GLY 16 1.052 -8.237 -7.600 127 H TRP 17 H TRP 17 1.884 -5.369 -6.784 128 HA TRP 17 HA TRP 17 0.061 -5.256 -4.453 129 HB2 TRP 17 HB3 TRP 17 2.684 -3.878 -5.089 130 HB3 TRP 17 HB2 TRP 17 1.742 -3.545 -3.635 131 HD1 TRP 17 HD1 TRP 17 2.963 -6.758 -5.435 132 HE1 TRP 17 HE1 TRP 17 3.853 -8.383 -3.642 133 HE3 TRP 17 HE3 TRP 17 2.143 -3.971 -1.235 134 HZ2 TRP 17 HZ2 TRP 17 4.174 -8.486 -0.802 135 HZ3 TRP 17 HZ3 TRP 17 2.750 -4.856 0.999 136 HH2 TRP 17 HH2 TRP 17 3.763 -7.107 1.222 137 H GLU 18 H GLU 18 -1.045 -3.298 -3.876 138 HA GLU 18 HA GLU 18 -1.075 -1.107 -5.862 139 HB2 GLU 18 HB3 GLU 18 -3.499 -2.792 -5.171 140 HB3 GLU 18 HB2 GLU 18 -3.592 -1.225 -5.977 141 HG2 GLU 18 HG2 GLU 18 -2.186 -2.069 -7.812 142 HG3 GLU 18 HG3 GLU 18 -2.062 -3.633 -7.006 143 H ARG 19 H ARG 19 -2.347 0.772 -5.024 144 HA ARG 19 HA ARG 19 -2.839 0.677 -2.090 145 HB2 ARG 19 HB3 ARG 19 -1.541 2.667 -1.689 146 HB3 ARG 19 HB2 ARG 19 -0.503 1.542 -2.566 147 HG2 ARG 19 HG3 ARG 19 -1.054 2.690 -4.686 148 HG3 ARG 19 HG2 ARG 19 -2.070 3.828 -3.799 149 HD2 ARG 19 HD3 ARG 19 0.008 4.949 -4.044 150 HD3 ARG 19 HD2 ARG 19 0.025 4.333 -2.391 151 HE ARG 19 HE ARG 19 1.697 2.752 -3.033 152 HH11 ARG 19 HH21 ARG 19 0.379 4.540 -5.670 153 HH12 ARG 19 HH22 ARG 19 1.600 4.042 -6.792 154 HH21 ARG 19 HH11 ARG 19 3.300 2.090 -4.485 155 HH22 ARG 19 HH12 ARG 19 3.254 2.655 -6.121 156 H GLU 20 H GLU 20 -4.444 2.155 -1.408 157 HA GLU 20 HA GLU 20 -5.668 3.868 -3.511 158 HB2 GLU 20 HB3 GLU 20 -7.777 2.919 -3.338 159 HB3 GLU 20 HB2 GLU 20 -6.774 1.488 -3.106 160 HG2 GLU 20 HG2 GLU 20 -6.869 2.038 -0.594 161 HG3 GLU 20 HG3 GLU 20 -8.186 3.135 -1.007 162 H GLU 21 H GLU 21 -6.706 5.722 -2.672 163 HA GLU 21 HA GLU 21 -6.159 6.235 0.213 164 HB2 GLU 21 HB3 GLU 21 -6.716 8.120 -2.098 165 HB3 GLU 21 HB2 GLU 21 -6.506 8.638 -0.426 166 HG2 GLU 21 HG2 GLU 21 -4.247 7.729 -0.378 167 HG3 GLU 21 HG3 GLU 21 -4.448 7.064 -1.998 168 H VAL 22 H VAL 22 -7.846 6.757 1.607 169 HA VAL 22 HA VAL 22 -10.568 7.061 0.449 170 HB VAL 22 HB VAL 22 -10.090 5.206 2.780 171 HG11 VAL 22 HG21 VAL 22 -12.376 6.145 2.271 172 HG12 VAL 22 HG22 VAL 22 -12.290 4.385 2.201 173 HG13 VAL 22 HG23 VAL 22 -12.301 5.327 0.709 174 HG21 VAL 22 HG13 VAL 22 -8.818 4.139 1.093 175 HG22 VAL 22 HG11 VAL 22 -9.928 4.639 -0.181 176 HG23 VAL 22 HG12 VAL 22 -10.407 3.386 0.964 177 HA PRO 23 HA PRO 23 -10.406 10.179 3.657 178 HB2 PRO 23 HB3 PRO 23 -12.800 11.334 3.061 179 HB3 PRO 23 HB2 PRO 23 -11.337 11.602 2.095 180 HG2 PRO 23 HG3 PRO 23 -13.668 9.842 1.551 181 HG3 PRO 23 HG2 PRO 23 -12.692 10.807 0.431 182 HD2 PRO 23 HD3 PRO 23 -12.396 8.075 0.773 183 HD3 PRO 23 HD2 PRO 23 -11.117 9.150 0.168 184 H ARG 24 H ARG 24 -11.110 10.110 5.773 185 HA ARG 24 HA ARG 24 -12.827 7.995 6.670 186 HB2 ARG 24 HB3 ARG 24 -11.063 9.096 8.068 187 HB3 ARG 24 HB2 ARG 24 -12.083 10.533 8.154 188 HG2 ARG 24 HG3 ARG 24 -13.762 9.410 9.387 189 HG3 ARG 24 HG2 ARG 24 -13.127 7.820 8.963 190 HD2 ARG 24 HD3 ARG 24 -11.569 9.824 10.610 191 HD3 ARG 24 HD2 ARG 24 -12.608 8.592 11.328 192 HE ARG 24 HE ARG 24 -10.544 7.630 9.444 193 HH11 ARG 24 HH21 ARG 24 -11.647 8.186 12.662 194 HH12 ARG 24 HH22 ARG 24 -10.550 7.051 13.377 195 HH21 ARG 24 HH11 ARG 24 -9.105 6.145 10.357 196 HH22 ARG 24 HH12 ARG 24 -9.111 5.897 12.071 197 H ARG 25 H ARG 25 -14.995 8.081 7.393 198 HA ARG 25 HA ARG 25 -16.478 10.607 6.830 199 HB2 ARG 25 HB3 ARG 25 -17.221 7.829 5.863 200 HB3 ARG 25 HB2 ARG 25 -18.289 9.231 5.779 201 HG2 ARG 25 HG3 ARG 25 -16.626 10.416 4.392 202 HG3 ARG 25 HG2 ARG 25 -15.563 9.010 4.467 203 HD2 ARG 25 HD3 ARG 25 -18.378 8.966 3.344 204 HD3 ARG 25 HD2 ARG 25 -16.917 9.094 2.365 205 HE ARG 25 HE ARG 25 -17.869 6.678 3.736 206 HH11 ARG 25 HH21 ARG 25 -15.281 8.411 2.259 207 HH12 ARG 25 HH22 ARG 25 -14.356 6.990 1.900 208 HH21 ARG 25 HH11 ARG 25 -16.677 4.812 3.277 209 HH22 ARG 25 HH12 ARG 25 -15.147 4.953 2.478 210 H SER 26 H SER 26 -16.237 7.547 8.538 211 HA SER 26 HA SER 26 -18.236 8.594 10.496 212 HB2 SER 26 HB3 SER 26 -19.338 6.834 9.213 213 HB3 SER 26 HB2 SER 26 -17.976 5.749 9.479 214 HG SER 26 HG SER 26 -19.108 5.186 11.168 215 H GLY 27 H GLY 27 -16.441 9.285 11.809 216 HA2 GLY 27 HA2 GLY 27 -15.530 7.356 13.709 217 HA3 GLY 27 HA3 GLY 27 -14.232 7.675 12.558 218 H LEU 28 H LEU 28 -14.045 8.369 15.307 219 HA LEU 28 HA LEU 28 -14.744 11.100 15.821 220 HB2 LEU 28 HB2 LEU 28 -12.547 9.358 16.975 221 HB3 LEU 28 HB3 LEU 28 -12.985 10.946 17.606 222 HG LEU 28 HG LEU 28 -14.925 8.634 17.328 223 HD11 LEU 28 HD11 LEU 28 -13.337 8.016 19.018 224 HD12 LEU 28 HD12 LEU 28 -14.752 8.638 19.869 225 HD13 LEU 28 HD13 LEU 28 -13.319 9.647 19.687 226 HD21 LEU 28 HD21 LEU 28 -15.079 11.471 18.268 227 HD22 LEU 28 HD22 LEU 28 -16.044 10.265 19.121 228 HD23 LEU 28 HD23 LEU 28 -16.274 10.514 17.390 229 H SER 29 H SER 29 -11.779 9.595 14.536 230 HA SER 29 HA SER 29 -10.349 12.098 14.297 231 HB2 SER 29 HB3 SER 29 -9.815 9.673 12.588 232 HB3 SER 29 HB2 SER 29 -8.666 10.853 13.215 233 HG SER 29 HG SER 29 -9.442 8.558 14.300 234 H ALA 30 H ALA 30 -13.116 11.280 12.841 235 HA ALA 30 HA ALA 30 -13.053 11.455 10.131 236 HB1 ALA 30 HB1 ALA 30 -14.908 13.327 10.438 237 HB2 ALA 30 HB2 ALA 30 -14.745 12.894 12.139 238 HB3 ALA 30 HB3 ALA 30 -15.211 11.669 10.959 239 H GLY 31 H GLY 31 -12.892 13.200 8.557 240 HA2 GLY 31 HA2 GLY 31 -12.280 15.474 7.949 241 HA3 GLY 31 HA3 GLY 31 -11.498 15.648 9.521 242 H HIS 32 H HIS 32 -10.059 13.158 9.463 243 HA HIS 32 HA HIS 32 -7.888 13.955 7.626 244 HB2 HIS 32 HB2 HIS 32 -8.058 11.827 9.780 245 HB3 HIS 32 HB3 HIS 32 -6.617 12.148 8.816 246 HD1 HIS 32 HD1 HIS 32 -8.634 13.479 11.649 247 HD2 HIS 32 HD2 HIS 32 -5.391 14.717 9.335 248 HE1 HIS 32 HE1 HIS 32 -7.606 15.460 12.853 249 HE2 HIS 32 HE2 HIS 32 -5.632 16.219 11.454 250 H ARG 33 H ARG 33 -6.787 12.158 6.368 251 HA ARG 33 HA ARG 33 -8.844 10.262 5.302 252 HB2 ARG 33 HB3 ARG 33 -7.583 10.393 3.147 253 HB3 ARG 33 HB2 ARG 33 -8.256 11.949 3.635 254 HG2 ARG 33 HG3 ARG 33 -6.062 12.563 4.626 255 HG3 ARG 33 HG2 ARG 33 -5.396 11.032 4.058 256 HD2 ARG 33 HD3 ARG 33 -4.833 12.758 2.444 257 HD3 ARG 33 HD2 ARG 33 -6.034 11.688 1.721 258 HE ARG 33 HE ARG 33 -7.383 13.859 2.999 259 HH11 ARG 33 HH21 ARG 33 -5.317 13.096 0.346 260 HH12 ARG 33 HH22 ARG 33 -5.911 14.377 -0.658 261 HH21 ARG 33 HH11 ARG 33 -8.170 15.536 1.703 262 HH22 ARG 33 HH12 ARG 33 -7.526 15.758 0.110 263 H ASP 34 H ASP 34 -8.284 8.113 5.273 264 HA ASP 34 HA ASP 34 -5.564 7.442 6.298 265 HB2 ASP 34 HB2 ASP 34 -8.166 5.886 6.310 266 HB3 ASP 34 HB3 ASP 34 -6.622 5.217 6.839 267 H VAL 35 H VAL 35 -4.246 6.034 5.129 268 HA VAL 35 HA VAL 35 -5.233 5.327 2.398 269 HB VAL 35 HB VAL 35 -2.374 5.601 3.374 270 HG11 VAL 35 HG21 VAL 35 -2.421 4.126 1.503 271 HG12 VAL 35 HG22 VAL 35 -2.001 5.704 0.838 272 HG13 VAL 35 HG23 VAL 35 -3.647 5.089 0.680 273 HG21 VAL 35 HG13 VAL 35 -2.566 7.641 1.734 274 HG22 VAL 35 HG11 VAL 35 -3.172 7.805 3.383 275 HG23 VAL 35 HG12 VAL 35 -4.295 7.506 2.057 276 H PHE 36 H PHE 36 -5.245 3.183 1.802 277 HA PHE 36 HA PHE 36 -4.083 1.239 3.756 278 HB2 PHE 36 HB3 PHE 36 -6.559 0.842 2.051 279 HB3 PHE 36 HB2 PHE 36 -5.935 -0.263 3.275 280 HD1 PHE 36 HD2 PHE 36 -5.564 0.823 5.672 281 HD2 PHE 36 HD1 PHE 36 -8.222 2.356 2.667 282 HE1 PHE 36 HE2 PHE 36 -6.839 2.036 7.419 283 HE2 PHE 36 HE1 PHE 36 -9.497 3.570 4.415 284 HZ PHE 36 HZ PHE 36 -8.806 3.408 6.792 285 H TYR 37 H TYR 37 -2.973 -0.528 2.864 286 HA TYR 37 HA TYR 37 -2.562 -0.398 -0.096 287 HB2 TYR 37 HB3 TYR 37 -0.678 -1.139 2.150 288 HB3 TYR 37 HB2 TYR 37 -0.338 -1.538 0.465 289 HD1 TYR 37 HD2 TYR 37 -1.090 1.299 2.770 290 HD2 TYR 37 HD1 TYR 37 0.507 0.094 -1.030 291 HE1 TYR 37 HE2 TYR 37 -0.253 3.603 2.392 292 HE2 TYR 37 HE1 TYR 37 1.343 2.397 -1.410 293 HH TYR 37 HH TYR 37 0.307 5.002 0.118 294 H TYR 38 H TYR 38 -2.520 -2.393 -1.232 295 HA TYR 38 HA TYR 38 -3.406 -4.770 0.352 296 HB2 TYR 38 HB3 TYR 38 -4.359 -4.075 -2.438 297 HB3 TYR 38 HB2 TYR 38 -4.961 -5.362 -1.393 298 HD1 TYR 38 HD1 TYR 38 -4.865 -1.714 -1.954 299 HD2 TYR 38 HD2 TYR 38 -6.434 -4.887 0.479 300 HE1 TYR 38 HE1 TYR 38 -6.491 -0.137 -0.946 301 HE2 TYR 38 HE2 TYR 38 -8.061 -3.310 1.487 302 HH TYR 38 HH TYR 38 -7.955 -0.488 1.760 303 H SER 39 H SER 39 -2.438 -6.714 -0.228 304 HA SER 39 HA SER 39 -0.219 -6.504 -2.199 305 HB2 SER 39 HB3 SER 39 0.915 -7.920 -0.845 306 HB3 SER 39 HB2 SER 39 -0.353 -7.625 0.341 307 HG SER 39 HG SER 39 -0.630 -9.560 -1.699 308 HA PRO 40 HA PRO 40 -1.762 -9.234 -5.273 309 HB2 PRO 40 HB3 PRO 40 -0.003 -11.468 -4.372 310 HB3 PRO 40 HB2 PRO 40 -0.148 -10.722 -5.975 311 HG2 PRO 40 HG3 PRO 40 1.947 -10.228 -4.436 312 HG3 PRO 40 HG2 PRO 40 1.217 -8.950 -5.422 313 HD2 PRO 40 HD3 PRO 40 0.979 -9.394 -2.458 314 HD3 PRO 40 HD2 PRO 40 1.046 -7.859 -3.350 315 H SER 41 H SER 41 -1.428 -10.831 -2.119 316 HA SER 41 HA SER 41 -3.542 -12.774 -2.767 317 HB2 SER 41 HB3 SER 41 -1.650 -13.444 -1.326 318 HB3 SER 41 HB2 SER 41 -2.102 -12.205 -0.157 319 HG SER 41 HG SER 41 -4.142 -13.287 0.010 320 H GLY 42 H GLY 42 -3.580 -9.574 -2.027 321 HA2 GLY 42 HA2 GLY 42 -5.508 -8.262 -1.549 322 HA3 GLY 42 HA3 GLY 42 -6.358 -9.732 -1.070 323 H LYS 43 H LYS 43 -3.236 -9.393 0.293 324 HA LYS 43 HA LYS 43 -4.267 -9.314 2.975 325 HB2 LYS 43 HB3 LYS 43 -2.077 -10.300 2.465 326 HB3 LYS 43 HB2 LYS 43 -1.476 -8.729 1.937 327 HG2 LYS 43 HG3 LYS 43 -1.884 -7.821 4.205 328 HG3 LYS 43 HG2 LYS 43 -2.437 -9.412 4.731 329 HD2 LYS 43 HD3 LYS 43 -0.268 -10.381 4.342 330 HD3 LYS 43 HD2 LYS 43 0.303 -8.916 3.543 331 HE2 LYS 43 HE3 LYS 43 0.187 -7.665 5.609 332 HE3 LYS 43 HE2 LYS 43 -0.602 -9.009 6.432 333 HZ1 LYS 43 HZ1 LYS 43 2.001 -9.463 5.160 334 HZ2 LYS 43 HZ2 LYS 43 1.319 -10.211 6.526 335 HZ3 LYS 43 HZ3 LYS 43 1.956 -8.640 6.642 336 H LYS 44 H LYS 44 -5.058 -7.557 4.018 337 HA LYS 44 HA LYS 44 -4.459 -4.861 2.949 338 HB2 LYS 44 HB3 LYS 44 -6.808 -5.463 3.466 339 HB3 LYS 44 HB2 LYS 44 -6.358 -5.721 5.153 340 HG2 LYS 44 HG3 LYS 44 -5.644 -3.373 5.334 341 HG3 LYS 44 HG2 LYS 44 -6.064 -3.108 3.642 342 HD2 LYS 44 HD3 LYS 44 -8.416 -3.709 4.145 343 HD3 LYS 44 HD2 LYS 44 -7.987 -3.920 5.843 344 HE2 LYS 44 HE3 LYS 44 -7.720 -1.349 4.255 345 HE3 LYS 44 HE2 LYS 44 -8.953 -1.687 5.470 346 HZ1 LYS 44 HZ1 LYS 44 -6.362 -0.708 5.861 347 HZ2 LYS 44 HZ2 LYS 44 -6.447 -2.244 6.579 348 HZ3 LYS 44 HZ3 LYS 44 -7.549 -1.031 7.029 349 H PHE 45 H PHE 45 -2.915 -3.611 3.879 350 HA PHE 45 HA PHE 45 -2.306 -4.006 6.765 351 HB2 PHE 45 HB3 PHE 45 0.176 -3.710 6.071 352 HB3 PHE 45 HB2 PHE 45 -0.563 -5.290 5.817 353 HD1 PHE 45 HD1 PHE 45 -1.600 -5.773 3.507 354 HD2 PHE 45 HD2 PHE 45 1.095 -2.513 4.260 355 HE1 PHE 45 HE1 PHE 45 -1.118 -5.611 1.079 356 HE2 PHE 45 HE2 PHE 45 1.576 -2.350 1.833 357 HZ PHE 45 HZ PHE 45 0.470 -3.898 0.243 358 H ARG 46 H ARG 46 -1.607 -2.097 7.798 359 HA ARG 46 HA ARG 46 -1.344 0.330 6.086 360 HB2 ARG 46 HB3 ARG 46 -2.696 1.551 7.878 361 HB3 ARG 46 HB2 ARG 46 -3.611 0.463 6.834 362 HG2 ARG 46 HG3 ARG 46 -3.410 -1.319 8.561 363 HG3 ARG 46 HG2 ARG 46 -2.581 -0.173 9.615 364 HD2 ARG 46 HD3 ARG 46 -5.377 0.203 8.504 365 HD3 ARG 46 HD2 ARG 46 -5.003 -0.331 10.145 366 HE ARG 46 HE ARG 46 -3.625 2.111 9.698 367 HH11 ARG 46 HH21 ARG 46 -6.817 0.827 9.918 368 HH12 ARG 46 HH22 ARG 46 -7.508 2.293 10.526 369 HH21 ARG 46 HH11 ARG 46 -4.509 4.033 10.491 370 HH22 ARG 46 HH12 ARG 46 -6.203 4.110 10.851 371 H SER 47 H SER 47 0.927 -0.684 6.907 372 HA SER 47 HA SER 47 1.811 1.173 9.017 373 HB2 SER 47 HB3 SER 47 2.490 -0.388 10.581 374 HB3 SER 47 HB2 SER 47 1.068 -1.213 9.948 375 HG SER 47 HG SER 47 3.740 -1.552 9.035 376 H LYS 48 H LYS 48 3.917 1.821 8.647 377 HA LYS 48 HA LYS 48 5.134 1.158 6.128 378 HB2 LYS 48 HB3 LYS 48 5.524 3.080 8.185 379 HB3 LYS 48 HB2 LYS 48 7.062 2.244 7.967 380 HG2 LYS 48 HG3 LYS 48 5.420 3.433 5.712 381 HG3 LYS 48 HG2 LYS 48 6.818 4.213 6.452 382 HD2 LYS 48 HD3 LYS 48 7.984 1.894 5.906 383 HD3 LYS 48 HD2 LYS 48 6.711 1.797 4.689 384 HE2 LYS 48 HE3 LYS 48 7.422 4.214 4.062 385 HE3 LYS 48 HE2 LYS 48 8.893 3.857 4.964 386 HZ1 LYS 48 HZ1 LYS 48 9.135 3.338 2.614 387 HZ2 LYS 48 HZ2 LYS 48 7.827 2.256 2.701 388 HZ3 LYS 48 HZ3 LYS 48 9.258 1.936 3.559 389 HA PRO 49 HA PRO 49 8.263 -1.204 9.123 390 HB2 PRO 49 HB3 PRO 49 6.218 -2.119 11.088 391 HB3 PRO 49 HB2 PRO 49 7.893 -1.602 11.359 392 HG2 PRO 49 HG3 PRO 49 5.859 -0.035 12.015 393 HG3 PRO 49 HG2 PRO 49 7.352 0.633 11.335 394 HD2 PRO 49 HD3 PRO 49 4.694 0.211 9.989 395 HD3 PRO 49 HD2 PRO 49 5.866 1.526 9.764 396 H GLN 50 H GLN 50 4.895 -2.436 9.128 397 HA GLN 50 HA GLN 50 5.636 -5.165 8.634 398 HB2 GLN 50 HB3 GLN 50 3.414 -4.473 9.518 399 HB3 GLN 50 HB2 GLN 50 3.037 -3.759 7.948 400 HG2 GLN 50 HG2 GLN 50 3.253 -5.939 6.864 401 HG3 GLN 50 HG3 GLN 50 3.735 -6.677 8.393 402 HE21 GLN 50 HE21 GLN 50 1.046 -4.481 7.367 403 HE22 GLN 50 HE22 GLN 50 -0.171 -5.389 8.124 404 H LEU 51 H LEU 51 4.857 -2.448 6.495 405 HA LEU 51 HA LEU 51 4.747 -3.979 4.068 406 HB2 LEU 51 HB2 LEU 51 3.854 -1.705 4.167 407 HB3 LEU 51 HB3 LEU 51 5.458 -1.065 4.528 408 HG LEU 51 HG LEU 51 6.287 -1.814 2.358 409 HD11 LEU 51 HD11 LEU 51 3.627 -3.179 2.306 410 HD12 LEU 51 HD12 LEU 51 5.198 -3.760 1.751 411 HD13 LEU 51 HD13 LEU 51 4.288 -2.607 0.775 412 HD21 LEU 51 HD21 LEU 51 5.384 0.368 2.219 413 HD22 LEU 51 HD22 LEU 51 3.727 -0.213 2.388 414 HD23 LEU 51 HD23 LEU 51 4.609 -0.489 0.886 415 H ALA 52 H ALA 52 7.398 -2.131 5.596 416 HA ALA 52 HA ALA 52 9.341 -2.790 3.580 417 HB1 ALA 52 HB1 ALA 52 9.679 -0.907 5.115 418 HB2 ALA 52 HB2 ALA 52 11.003 -2.060 5.280 419 HB3 ALA 52 HB3 ALA 52 9.719 -2.011 6.487 420 H ARG 53 H ARG 53 8.596 -4.225 6.763 421 HA ARG 53 HA ARG 53 10.637 -6.212 6.714 422 HB2 ARG 53 HB3 ARG 53 9.282 -5.642 8.725 423 HB3 ARG 53 HB2 ARG 53 7.883 -6.412 7.972 424 HG2 ARG 53 HG3 ARG 53 9.079 -8.551 7.883 425 HG3 ARG 53 HG2 ARG 53 10.513 -7.796 8.578 426 HD2 ARG 53 HD3 ARG 53 9.301 -8.929 10.355 427 HD3 ARG 53 HD2 ARG 53 9.150 -7.187 10.593 428 HE ARG 53 HE ARG 53 6.950 -8.227 9.025 429 HH11 ARG 53 HH21 ARG 53 8.288 -7.922 12.188 430 HH12 ARG 53 HH22 ARG 53 6.755 -7.992 12.989 431 HH21 ARG 53 HH11 ARG 53 4.939 -8.321 10.053 432 HH22 ARG 53 HH12 ARG 53 4.858 -8.219 11.780 433 H TYR 54 H TYR 54 7.256 -6.323 5.572 434 HA TYR 54 HA TYR 54 7.313 -9.055 4.732 435 HB2 TYR 54 HB3 TYR 54 5.274 -7.514 4.982 436 HB3 TYR 54 HB2 TYR 54 5.697 -6.881 3.390 437 HD1 TYR 54 HD2 TYR 54 5.792 -8.436 1.416 438 HD2 TYR 54 HD1 TYR 54 4.249 -9.659 5.234 439 HE1 TYR 54 HE2 TYR 54 4.688 -10.382 0.347 440 HE2 TYR 54 HE1 TYR 54 3.145 -11.605 4.164 441 HH TYR 54 HH TYR 54 2.281 -12.071 1.647 442 H LEU 55 H LEU 55 7.755 -6.053 2.823 443 HA LEU 55 HA LEU 55 8.764 -7.652 0.557 444 HB2 LEU 55 HB2 LEU 55 8.361 -4.668 0.928 445 HB3 LEU 55 HB3 LEU 55 8.943 -5.413 -0.562 446 HG LEU 55 HG LEU 55 6.318 -6.131 0.770 447 HD11 LEU 55 HD11 LEU 55 6.498 -3.747 -0.132 448 HD12 LEU 55 HD12 LEU 55 5.217 -4.737 -0.834 449 HD13 LEU 55 HD13 LEU 55 6.714 -4.467 -1.727 450 HD21 LEU 55 HD21 LEU 55 7.793 -6.982 -1.692 451 HD22 LEU 55 HD22 LEU 55 6.033 -6.905 -1.763 452 HD23 LEU 55 HD23 LEU 55 6.823 -7.947 -0.580 453 H GLY 56 H GLY 56 10.102 -6.700 3.369 454 HA2 GLY 56 HA2 GLY 56 12.506 -5.355 2.623 455 HA3 GLY 56 HA3 GLY 56 12.312 -6.341 4.073 456 H GLY 57 H GLY 57 11.682 -8.810 2.780 457 HA2 GLY 57 HA2 GLY 57 14.399 -9.600 1.996 458 HA3 GLY 57 HA3 GLY 57 13.028 -10.688 2.227 459 H SER 58 H SER 58 11.963 -8.184 0.332 460 HA SER 58 HA SER 58 12.603 -9.701 -2.169 461 HB2 SER 58 HB3 SER 58 10.411 -9.146 -3.005 462 HB3 SER 58 HB2 SER 58 10.198 -9.810 -1.387 463 HG SER 58 HG SER 58 10.142 -7.105 -2.225 464 H MET 59 H MET 59 12.511 -6.619 -0.569 465 HA MET 59 HA MET 59 14.199 -5.377 -2.517 466 HB2 MET 59 HB3 MET 59 11.733 -5.523 -3.556 467 HB3 MET 59 HB2 MET 59 11.521 -4.060 -2.593 468 HG2 MET 59 HG3 MET 59 13.834 -3.384 -3.682 469 HG3 MET 59 HG2 MET 59 13.354 -4.550 -4.914 470 HE1 MET 59 HE1 MET 59 9.878 -3.342 -5.994 471 HE2 MET 59 HE2 MET 59 9.943 -3.970 -4.350 472 HE3 MET 59 HE3 MET 59 10.915 -4.723 -5.612 473 H ASP 60 H ASP 60 14.364 -2.942 -2.042 474 HA ASP 60 HA ASP 60 14.072 -2.568 0.889 475 HB2 ASP 60 HB2 ASP 60 15.671 -1.117 -1.234 476 HB3 ASP 60 HB3 ASP 60 15.542 -0.537 0.426 477 H LEU 61 H LEU 61 12.231 -1.559 1.525 478 HA LEU 61 HA LEU 61 10.901 0.314 -0.359 479 HB2 LEU 61 HB2 LEU 61 10.001 -1.160 2.116 480 HB3 LEU 61 HB3 LEU 61 9.065 0.187 1.465 481 HG LEU 61 HG LEU 61 8.362 -2.099 0.625 482 HD11 LEU 61 HD11 LEU 61 7.757 -1.207 -1.419 483 HD12 LEU 61 HD12 LEU 61 9.365 -0.551 -1.728 484 HD13 LEU 61 HD13 LEU 61 8.277 0.270 -0.609 485 HD21 LEU 61 HD21 LEU 61 10.876 -1.937 -1.047 486 HD22 LEU 61 HD22 LEU 61 9.770 -3.300 -0.867 487 HD23 LEU 61 HD23 LEU 61 10.829 -2.840 0.466 488 H SER 62 H SER 62 13.229 0.562 1.896 489 HA SER 62 HA SER 62 12.370 2.571 3.704 490 HB2 SER 62 HB3 SER 62 14.771 3.167 3.874 491 HB3 SER 62 HB2 SER 62 14.529 1.422 3.936 492 HG SER 62 HG SER 62 14.848 1.615 1.530 493 H THR 63 H THR 63 13.571 2.816 0.375 494 HA THR 63 HA THR 63 13.368 5.757 0.444 495 HB THR 63 HB THR 63 14.005 5.508 -2.011 496 HG1 THR 63 HG1 THR 63 14.409 2.822 -1.205 497 HG21 THR 63 HG21 THR 63 15.878 4.110 -0.090 498 HG22 THR 63 HG22 THR 63 15.616 5.854 -0.084 499 HG23 THR 63 HG23 THR 63 16.310 5.072 -1.504 500 H PHE 64 H PHE 64 11.113 3.438 0.354 501 HA PHE 64 HA PHE 64 9.513 4.536 -1.881 502 HB2 PHE 64 HB3 PHE 64 9.487 2.113 -1.579 503 HB3 PHE 64 HB2 PHE 64 8.958 2.300 0.093 504 HD1 PHE 64 HD2 PHE 64 7.959 3.516 -3.321 505 HD2 PHE 64 HD1 PHE 64 6.686 2.039 0.507 506 HE1 PHE 64 HE2 PHE 64 5.598 3.597 -4.075 507 HE2 PHE 64 HE1 PHE 64 4.325 2.120 -0.246 508 HZ PHE 64 HZ PHE 64 3.781 2.899 -2.537 509 H ASP 65 H ASP 65 8.136 6.203 -1.530 510 HA ASP 65 HA ASP 65 7.636 7.189 1.161 511 HB2 ASP 65 HB2 ASP 65 6.555 7.979 -1.555 512 HB3 ASP 65 HB3 ASP 65 6.109 8.804 -0.062 513 H PHE 66 H PHE 66 6.185 6.201 2.477 514 HA PHE 66 HA PHE 66 4.087 4.479 1.405 515 HB2 PHE 66 HB3 PHE 66 5.222 3.963 3.544 516 HB3 PHE 66 HB2 PHE 66 4.567 5.446 4.240 517 HD1 PHE 66 HD2 PHE 66 3.677 2.125 2.841 518 HD2 PHE 66 HD1 PHE 66 2.285 5.589 4.963 519 HE1 PHE 66 HE2 PHE 66 1.577 0.933 3.407 520 HE2 PHE 66 HE1 PHE 66 0.185 4.399 5.530 521 HZ PHE 66 HZ PHE 66 -0.170 2.070 4.751 522 H ARG 67 H ARG 67 4.222 7.670 2.975 523 HA ARG 67 HA ARG 67 1.408 8.089 3.155 524 HB2 ARG 67 HB3 ARG 67 3.571 9.504 3.957 525 HB3 ARG 67 HB2 ARG 67 3.114 10.439 2.533 526 HG2 ARG 67 HG3 ARG 67 1.195 9.670 4.750 527 HG3 ARG 67 HG2 ARG 67 2.002 11.233 4.636 528 HD2 ARG 67 HD3 ARG 67 1.004 11.464 2.317 529 HD3 ARG 67 HD2 ARG 67 0.034 10.034 2.672 530 HE ARG 67 HE ARG 67 -0.306 11.922 4.788 531 HH11 ARG 67 HH21 ARG 67 -0.993 11.394 1.450 532 HH12 ARG 67 HH22 ARG 67 -2.447 12.338 1.465 533 HH21 ARG 67 HH11 ARG 67 -2.200 13.157 4.825 534 HH22 ARG 67 HH12 ARG 67 -3.129 13.335 3.374 535 H THR 68 H THR 68 3.729 8.905 0.569 536 HA THR 68 HA THR 68 1.470 9.751 -1.157 537 HB THR 68 HB THR 68 3.180 10.584 -2.672 538 HG1 THR 68 HG1 THR 68 4.667 8.757 -1.337 539 HG21 THR 68 HG21 THR 68 4.173 12.254 -1.274 540 HG22 THR 68 HG22 THR 68 4.108 11.200 0.139 541 HG23 THR 68 HG23 THR 68 2.619 11.856 -0.542 542 H GLY 69 H GLY 69 3.418 7.006 -0.537 543 HA2 GLY 69 HA2 GLY 69 3.488 4.902 -1.574 544 HA3 GLY 69 HA3 GLY 69 2.037 5.387 -2.454 545 H LYS 70 H LYS 70 5.304 6.820 -2.482 546 HA LYS 70 HA LYS 70 5.598 5.982 -5.318 547 HB2 LYS 70 HB3 LYS 70 5.778 8.844 -4.328 548 HB3 LYS 70 HB2 LYS 70 6.268 8.309 -5.935 549 HG2 LYS 70 HG3 LYS 70 3.976 7.506 -6.371 550 HG3 LYS 70 HG2 LYS 70 3.483 8.039 -4.763 551 HD2 LYS 70 HD3 LYS 70 4.040 10.359 -5.337 552 HD3 LYS 70 HD2 LYS 70 4.595 9.846 -6.931 553 HE2 LYS 70 HE3 LYS 70 2.312 10.710 -7.096 554 HE3 LYS 70 HE2 LYS 70 2.314 8.975 -7.415 555 HZ1 LYS 70 HZ1 LYS 70 1.076 8.585 -5.626 556 HZ2 LYS 70 HZ2 LYS 70 0.767 10.256 -5.583 557 HZ3 LYS 70 HZ3 LYS 70 2.013 9.594 -4.635 558 H MET 71 H MET 71 7.847 6.189 -6.067 559 HA MET 71 HA MET 71 9.738 5.599 -3.916 560 HB2 MET 71 HB3 MET 71 9.740 5.504 -6.890 561 HB3 MET 71 HB2 MET 71 11.306 5.732 -6.109 562 HG2 MET 71 HG3 MET 71 9.524 3.639 -4.961 563 HG3 MET 71 HG2 MET 71 10.257 3.292 -6.527 564 HE1 MET 71 HE1 MET 71 11.151 1.836 -3.253 565 HE2 MET 71 HE2 MET 71 12.364 1.188 -4.354 566 HE3 MET 71 HE3 MET 71 10.711 1.427 -4.918 567 H LEU 72 H LEU 72 11.299 6.972 -3.111 568 HA LEU 72 HA LEU 72 11.035 9.816 -3.732 569 HB2 LEU 72 HB2 LEU 72 11.465 8.974 -1.419 570 HB3 LEU 72 HB3 LEU 72 13.053 8.419 -1.951 571 HG LEU 72 HG LEU 72 13.633 10.739 -2.602 572 HD11 LEU 72 HD11 LEU 72 11.722 11.921 -3.105 573 HD12 LEU 72 HD12 LEU 72 11.917 12.433 -1.429 574 HD13 LEU 72 HD13 LEU 72 10.781 11.146 -1.831 575 HD21 LEU 72 HD21 LEU 72 14.111 9.860 -0.301 576 HD22 LEU 72 HD22 LEU 72 12.592 10.569 0.244 577 HD23 LEU 72 HD23 LEU 72 13.891 11.609 -0.341 Start of MODEL 6 1 H1 GLY 1 H1 GLY 1 -19.235 7.226 -8.797 2 H2 GLY 1 H2 GLY 1 -20.337 8.191 -9.659 3 H3 GLY 1 H3 GLY 1 -20.593 7.873 -8.009 4 HA2 GLY 1 HA2 GLY 1 -18.028 9.192 -8.899 5 HA3 GLY 1 HA3 GLY 1 -19.542 10.107 -8.624 6 H SER 2 H SER 2 -20.929 8.994 -6.692 7 HA SER 2 HA SER 2 -20.333 11.169 -4.938 8 HB2 SER 2 HB3 SER 2 -22.531 10.010 -5.003 9 HB3 SER 2 HB2 SER 2 -21.780 8.577 -4.304 10 HG SER 2 HG SER 2 -21.243 10.892 -2.939 11 H MET 3 H MET 3 -19.462 7.715 -4.793 12 HA MET 3 HA MET 3 -17.366 8.460 -2.797 13 HB2 MET 3 HB3 MET 3 -19.255 7.262 -1.695 14 HB3 MET 3 HB2 MET 3 -19.004 5.907 -2.794 15 HG2 MET 3 HG3 MET 3 -17.445 5.100 -1.387 16 HG3 MET 3 HG2 MET 3 -16.466 6.534 -1.699 17 HE1 MET 3 HE1 MET 3 -19.004 4.927 1.219 18 HE2 MET 3 HE2 MET 3 -19.661 5.493 -0.315 19 HE3 MET 3 HE3 MET 3 -19.950 6.420 1.155 20 H GLU 4 H GLU 4 -15.990 8.555 -4.756 21 HA GLU 4 HA GLU 4 -15.460 5.931 -6.038 22 HB2 GLU 4 HB3 GLU 4 -15.669 7.975 -7.457 23 HB3 GLU 4 HB2 GLU 4 -14.264 8.655 -6.636 24 HG2 GLU 4 HG2 GLU 4 -12.894 6.744 -7.386 25 HG3 GLU 4 HG3 GLU 4 -14.298 6.062 -8.211 26 H ARG 5 H ARG 5 -13.665 4.736 -5.535 27 HA ARG 5 HA ARG 5 -11.919 5.747 -3.377 28 HB2 ARG 5 HB3 ARG 5 -12.119 3.042 -4.736 29 HB3 ARG 5 HB2 ARG 5 -11.006 3.412 -3.419 30 HG2 ARG 5 HG3 ARG 5 -12.894 3.983 -1.956 31 HG3 ARG 5 HG2 ARG 5 -14.025 3.668 -3.273 32 HD2 ARG 5 HD3 ARG 5 -13.263 1.321 -3.366 33 HD3 ARG 5 HD2 ARG 5 -12.141 1.634 -2.042 34 HE ARG 5 HE ARG 5 -15.081 1.429 -1.809 35 HH11 ARG 5 HH21 ARG 5 -12.004 2.197 -0.456 36 HH12 ARG 5 HH22 ARG 5 -12.548 2.082 1.184 37 HH21 ARG 5 HH11 ARG 5 -15.809 1.275 0.326 38 HH22 ARG 5 HH12 ARG 5 -14.703 1.560 1.627 39 H LYS 6 H LYS 6 -9.909 6.550 -3.768 40 HA LYS 6 HA LYS 6 -8.940 6.806 -6.489 41 HB2 LYS 6 HB3 LYS 6 -7.583 7.375 -3.836 42 HB3 LYS 6 HB2 LYS 6 -6.956 7.851 -5.415 43 HG2 LYS 6 HG3 LYS 6 -8.627 9.436 -5.755 44 HG3 LYS 6 HG2 LYS 6 -9.752 8.632 -4.659 45 HD2 LYS 6 HD3 LYS 6 -8.387 9.307 -2.732 46 HD3 LYS 6 HD2 LYS 6 -7.223 10.077 -3.812 47 HE2 LYS 6 HE3 LYS 6 -8.977 11.615 -4.613 48 HE3 LYS 6 HE2 LYS 6 -10.144 10.845 -3.537 49 HZ1 LYS 6 HZ1 LYS 6 -7.684 12.300 -2.732 50 HZ2 LYS 6 HZ2 LYS 6 -8.700 11.458 -1.661 51 HZ3 LYS 6 HZ3 LYS 6 -9.285 12.814 -2.503 52 H ARG 7 H ARG 7 -6.957 5.877 -7.322 53 HA ARG 7 HA ARG 7 -5.799 3.605 -5.828 54 HB2 ARG 7 HB3 ARG 7 -6.183 2.024 -7.673 55 HB3 ARG 7 HB2 ARG 7 -7.720 2.629 -7.054 56 HG2 ARG 7 HG3 ARG 7 -7.806 4.289 -8.878 57 HG3 ARG 7 HG2 ARG 7 -6.272 3.684 -9.500 58 HD2 ARG 7 HD3 ARG 7 -7.284 1.460 -9.844 59 HD3 ARG 7 HD2 ARG 7 -8.821 2.064 -9.225 60 HE ARG 7 HE ARG 7 -9.173 3.146 -11.300 61 HH11 ARG 7 HH21 ARG 7 -5.906 2.129 -10.876 62 HH12 ARG 7 HH22 ARG 7 -5.441 2.501 -12.503 63 HH21 ARG 7 HH11 ARG 7 -8.584 3.637 -13.425 64 HH22 ARG 7 HH12 ARG 7 -6.957 3.354 -13.947 65 H TRP 8 H TRP 8 -3.660 3.237 -6.425 66 HA TRP 8 HA TRP 8 -2.635 4.478 -8.909 67 HB2 TRP 8 HB3 TRP 8 -1.583 5.166 -6.147 68 HB3 TRP 8 HB2 TRP 8 -0.817 5.635 -7.666 69 HD1 TRP 8 HD1 TRP 8 -3.034 6.680 -9.408 70 HE1 TRP 8 HE1 TRP 8 -4.468 8.725 -8.767 71 HE3 TRP 8 HE3 TRP 8 -2.317 6.713 -4.351 72 HZ2 TRP 8 HZ2 TRP 8 -5.213 10.182 -6.419 73 HZ3 TRP 8 HZ3 TRP 8 -3.399 8.438 -2.940 74 HH2 TRP 8 HH2 TRP 8 -4.844 10.169 -3.966 75 H GLU 9 H GLU 9 -1.168 3.111 -9.818 76 HA GLU 9 HA GLU 9 -0.129 0.884 -8.140 77 HB2 GLU 9 HB3 GLU 9 0.292 1.032 -11.103 78 HB3 GLU 9 HB2 GLU 9 0.028 -0.381 -10.080 79 HG2 GLU 9 HG2 GLU 9 -2.062 1.701 -10.785 80 HG3 GLU 9 HG3 GLU 9 -1.960 0.077 -11.466 81 H CYS 10 H CYS 10 1.981 0.893 -7.519 82 HA CYS 10 HA CYS 10 3.771 2.933 -8.752 83 HB2 CYS 10 HB3 CYS 10 3.686 3.237 -6.396 84 HB3 CYS 10 HB2 CYS 10 3.791 1.504 -6.090 85 HG CYS 10 HG CYS 10 6.208 3.089 -7.293 86 HA PRO 11 HA PRO 11 5.897 -0.380 -10.793 87 HB2 PRO 11 HB3 PRO 11 8.163 1.020 -11.455 88 HB3 PRO 11 HB2 PRO 11 6.622 1.179 -12.319 89 HG2 PRO 11 HG3 PRO 11 7.828 2.951 -10.257 90 HG3 PRO 11 HG2 PRO 11 6.908 3.370 -11.712 91 HD2 PRO 11 HD3 PRO 11 5.827 3.390 -9.205 92 HD3 PRO 11 HD2 PRO 11 4.867 3.074 -10.666 93 H ALA 12 H ALA 12 7.039 1.194 -7.952 94 HA ALA 12 HA ALA 12 9.553 -0.192 -7.667 95 HB1 ALA 12 HB1 ALA 12 8.550 1.895 -6.379 96 HB2 ALA 12 HB2 ALA 12 9.678 0.804 -5.571 97 HB3 ALA 12 HB3 ALA 12 7.945 0.653 -5.284 98 H LEU 13 H LEU 13 6.220 -0.935 -6.760 99 HA LEU 13 HA LEU 13 7.082 -3.409 -5.387 100 HB2 LEU 13 HB2 LEU 13 4.398 -2.082 -5.814 101 HB3 LEU 13 HB3 LEU 13 4.550 -3.692 -5.110 102 HG LEU 13 HG LEU 13 4.448 -1.781 -3.434 103 HD11 LEU 13 HD11 LEU 13 5.903 -2.884 -1.965 104 HD12 LEU 13 HD12 LEU 13 7.085 -3.215 -3.230 105 HD13 LEU 13 HD13 LEU 13 5.578 -4.129 -3.172 106 HD21 LEU 13 HD21 LEU 13 6.330 -0.339 -3.190 107 HD22 LEU 13 HD22 LEU 13 5.967 -0.329 -4.915 108 HD23 LEU 13 HD23 LEU 13 7.305 -1.298 -4.302 109 HA PRO 14 HA PRO 14 6.656 -6.026 -8.900 110 HB2 PRO 14 HB3 PRO 14 5.632 -8.284 -7.685 111 HB3 PRO 14 HB2 PRO 14 7.342 -7.811 -7.635 112 HG2 PRO 14 HG3 PRO 14 5.214 -7.437 -5.589 113 HG3 PRO 14 HG2 PRO 14 6.919 -7.866 -5.381 114 HD2 PRO 14 HD3 PRO 14 6.020 -5.353 -4.917 115 HD3 PRO 14 HD2 PRO 14 7.647 -5.665 -5.559 116 H GLN 15 H GLN 15 5.049 -7.028 -10.297 117 HA GLN 15 HA GLN 15 2.561 -5.722 -10.443 118 HB2 GLN 15 HB3 GLN 15 3.498 -6.954 -12.340 119 HB3 GLN 15 HB2 GLN 15 3.305 -8.478 -11.471 120 HG2 GLN 15 HG2 GLN 15 0.873 -8.171 -11.420 121 HG3 GLN 15 HG3 GLN 15 1.038 -6.611 -12.227 122 HE21 GLN 15 HE21 GLN 15 -0.469 -8.794 -13.375 123 HE22 GLN 15 HE22 GLN 15 0.330 -9.290 -14.790 124 H GLY 16 H GLY 16 0.704 -5.939 -9.286 125 HA2 GLY 16 HA2 GLY 16 -0.960 -7.675 -8.440 126 HA3 GLY 16 HA3 GLY 16 0.413 -8.389 -7.593 127 H TRP 17 H TRP 17 1.463 -5.581 -7.079 128 HA TRP 17 HA TRP 17 -0.056 -5.172 -4.586 129 HB2 TRP 17 HB3 TRP 17 2.469 -3.925 -5.702 130 HB3 TRP 17 HB2 TRP 17 1.737 -3.420 -4.180 131 HD1 TRP 17 HD1 TRP 17 3.032 -6.660 -5.849 132 HE1 TRP 17 HE1 TRP 17 3.995 -8.181 -4.006 133 HE3 TRP 17 HE3 TRP 17 1.940 -3.850 -1.727 134 HZ2 TRP 17 HZ2 TRP 17 4.268 -8.203 -1.159 135 HZ3 TRP 17 HZ3 TRP 17 2.562 -4.645 0.537 136 HH2 TRP 17 HH2 TRP 17 3.724 -6.816 0.826 137 H GLU 18 H GLU 18 -1.251 -3.301 -4.120 138 HA GLU 18 HA GLU 18 -1.437 -1.213 -6.223 139 HB2 GLU 18 HB3 GLU 18 -3.812 -2.747 -5.122 140 HB3 GLU 18 HB2 GLU 18 -3.922 -1.323 -6.156 141 HG2 GLU 18 HG2 GLU 18 -2.677 -2.510 -7.927 142 HG3 GLU 18 HG3 GLU 18 -2.574 -3.938 -6.897 143 H ARG 19 H ARG 19 -2.412 0.777 -5.407 144 HA ARG 19 HA ARG 19 -2.606 0.883 -2.424 145 HB2 ARG 19 HB3 ARG 19 -1.504 3.182 -4.025 146 HB3 ARG 19 HB2 ARG 19 -1.278 2.814 -2.314 147 HG2 ARG 19 HG3 ARG 19 0.033 0.787 -2.970 148 HG3 ARG 19 HG2 ARG 19 -0.103 1.288 -4.656 149 HD2 ARG 19 HD3 ARG 19 0.996 3.448 -4.062 150 HD3 ARG 19 HD2 ARG 19 1.216 2.853 -2.417 151 HE ARG 19 HE ARG 19 2.714 1.967 -4.789 152 HH11 ARG 19 HH21 ARG 19 1.732 1.434 -1.529 153 HH12 ARG 19 HH22 ARG 19 3.057 0.381 -1.160 154 HH21 ARG 19 HH11 ARG 19 4.452 0.596 -4.328 155 HH22 ARG 19 HH12 ARG 19 4.597 -0.092 -2.746 156 H GLU 20 H GLU 20 -4.472 1.832 -1.735 157 HA GLU 20 HA GLU 20 -5.910 3.640 -3.627 158 HB2 GLU 20 HB3 GLU 20 -7.146 1.389 -2.008 159 HB3 GLU 20 HB2 GLU 20 -8.045 2.566 -2.967 160 HG2 GLU 20 HG2 GLU 20 -6.915 1.806 -5.006 161 HG3 GLU 20 HG3 GLU 20 -5.955 0.662 -4.066 162 H GLU 21 H GLU 21 -6.880 5.399 -2.629 163 HA GLU 21 HA GLU 21 -6.462 5.619 0.316 164 HB2 GLU 21 HB3 GLU 21 -5.405 7.371 -1.076 165 HB3 GLU 21 HB2 GLU 21 -6.986 7.784 -1.745 166 HG2 GLU 21 HG2 GLU 21 -7.802 8.438 0.449 167 HG3 GLU 21 HG3 GLU 21 -6.308 7.888 1.208 168 H VAL 22 H VAL 22 -8.212 6.320 1.648 169 HA VAL 22 HA VAL 22 -10.877 6.562 0.373 170 HB VAL 22 HB VAL 22 -10.448 4.643 2.668 171 HG11 VAL 22 HG21 VAL 22 -12.728 5.525 2.303 172 HG12 VAL 22 HG22 VAL 22 -12.648 3.805 1.926 173 HG13 VAL 22 HG23 VAL 22 -12.663 4.992 0.623 174 HG21 VAL 22 HG13 VAL 22 -9.143 3.777 0.804 175 HG22 VAL 22 HG11 VAL 22 -10.471 4.085 -0.315 176 HG23 VAL 22 HG12 VAL 22 -10.631 2.842 0.925 177 HA PRO 23 HA PRO 23 -10.919 9.618 3.638 178 HB2 PRO 23 HB3 PRO 23 -13.326 10.716 2.989 179 HB3 PRO 23 HB2 PRO 23 -11.843 11.037 2.068 180 HG2 PRO 23 HG3 PRO 23 -14.106 9.216 1.438 181 HG3 PRO 23 HG2 PRO 23 -13.138 10.232 0.358 182 HD2 PRO 23 HD3 PRO 23 -12.761 7.507 0.661 183 HD3 PRO 23 HD2 PRO 23 -11.495 8.627 0.116 184 H ARG 24 H ARG 24 -11.700 9.520 5.727 185 HA ARG 24 HA ARG 24 -13.341 7.341 6.581 186 HB2 ARG 24 HB3 ARG 24 -11.683 8.777 7.958 187 HB3 ARG 24 HB2 ARG 24 -13.027 9.905 8.142 188 HG2 ARG 24 HG3 ARG 24 -13.049 8.403 10.042 189 HG3 ARG 24 HG2 ARG 24 -14.419 7.996 9.010 190 HD2 ARG 24 HD3 ARG 24 -13.529 5.979 8.392 191 HD3 ARG 24 HD2 ARG 24 -11.873 6.587 8.414 192 HE ARG 24 HE ARG 24 -12.619 6.561 11.089 193 HH11 ARG 24 HH21 ARG 24 -12.568 4.324 8.466 194 HH12 ARG 24 HH22 ARG 24 -12.298 2.943 9.475 195 HH21 ARG 24 HH11 ARG 24 -12.269 4.771 12.422 196 HH22 ARG 24 HH12 ARG 24 -12.129 3.195 11.715 197 H ARG 25 H ARG 25 -15.542 7.303 7.206 198 HA ARG 25 HA ARG 25 -17.148 9.722 6.519 199 HB2 ARG 25 HB3 ARG 25 -17.151 7.996 4.650 200 HB3 ARG 25 HB2 ARG 25 -17.969 6.905 5.769 201 HG2 ARG 25 HG3 ARG 25 -19.804 8.500 6.033 202 HG3 ARG 25 HG2 ARG 25 -18.975 9.659 4.995 203 HD2 ARG 25 HD3 ARG 25 -19.041 7.965 3.147 204 HD3 ARG 25 HD2 ARG 25 -20.017 6.930 4.188 205 HE ARG 25 HE ARG 25 -20.912 9.439 2.915 206 HH11 ARG 25 HH21 ARG 25 -21.403 6.886 5.178 207 HH12 ARG 25 HH22 ARG 25 -23.113 7.135 5.293 208 HH21 ARG 25 HH11 ARG 25 -23.142 9.781 3.050 209 HH22 ARG 25 HH12 ARG 25 -24.098 8.775 4.088 210 H SER 26 H SER 26 -16.872 6.675 8.282 211 HA SER 26 HA SER 26 -18.837 7.752 10.248 212 HB2 SER 26 HB3 SER 26 -19.946 5.622 10.433 213 HB3 SER 26 HB2 SER 26 -19.901 6.033 8.720 214 HG SER 26 HG SER 26 -18.436 4.506 8.377 215 H GLY 27 H GLY 27 -17.426 8.125 11.926 216 HA2 GLY 27 HA2 GLY 27 -16.441 6.029 13.526 217 HA3 GLY 27 HA3 GLY 27 -15.110 6.515 12.475 218 H LEU 28 H LEU 28 -14.691 6.911 15.114 219 HA LEU 28 HA LEU 28 -15.612 9.404 16.177 220 HB2 LEU 28 HB2 LEU 28 -14.551 7.696 17.590 221 HB3 LEU 28 HB3 LEU 28 -13.030 7.905 16.720 222 HG LEU 28 HG LEU 28 -12.914 10.248 17.452 223 HD11 LEU 28 HD11 LEU 28 -15.633 9.575 18.526 224 HD12 LEU 28 HD12 LEU 28 -15.092 11.030 17.686 225 HD13 LEU 28 HD13 LEU 28 -14.652 10.770 19.374 226 HD21 LEU 28 HD21 LEU 28 -13.544 8.593 19.898 227 HD22 LEU 28 HD22 LEU 28 -12.290 9.817 19.694 228 HD23 LEU 28 HD23 LEU 28 -12.129 8.249 18.903 229 H SER 29 H SER 29 -12.734 8.555 14.258 230 HA SER 29 HA SER 29 -11.830 11.351 14.231 231 HB2 SER 29 HB3 SER 29 -9.993 10.516 12.853 232 HB3 SER 29 HB2 SER 29 -10.215 9.451 14.238 233 HG SER 29 HG SER 29 -10.192 8.750 11.749 234 H ALA 30 H ALA 30 -14.392 10.057 12.844 235 HA ALA 30 HA ALA 30 -14.385 10.225 10.110 236 HB1 ALA 30 HB1 ALA 30 -16.352 11.324 12.110 237 HB2 ALA 30 HB2 ALA 30 -16.502 9.897 11.085 238 HB3 ALA 30 HB3 ALA 30 -16.634 11.508 10.380 239 H GLY 31 H GLY 31 -13.865 11.743 8.593 240 HA2 GLY 31 HA2 GLY 31 -14.096 14.196 7.980 241 HA3 GLY 31 HA3 GLY 31 -13.401 14.536 9.567 242 H HIS 32 H HIS 32 -11.402 12.517 9.585 243 HA HIS 32 HA HIS 32 -9.418 13.795 7.848 244 HB2 HIS 32 HB2 HIS 32 -9.235 11.514 9.836 245 HB3 HIS 32 HB3 HIS 32 -7.854 12.148 8.943 246 HD1 HIS 32 HD1 HIS 32 -10.361 13.113 11.595 247 HD2 HIS 32 HD2 HIS 32 -6.893 14.647 9.855 248 HE1 HIS 32 HE1 HIS 32 -9.671 15.103 13.005 249 HE2 HIS 32 HE2 HIS 32 -7.562 16.044 11.955 250 H ARG 33 H ARG 33 -7.843 12.163 6.688 251 HA ARG 33 HA ARG 33 -9.529 10.161 5.235 252 HB2 ARG 33 HB3 ARG 33 -7.237 11.859 4.200 253 HB3 ARG 33 HB2 ARG 33 -8.043 10.592 3.275 254 HG2 ARG 33 HG3 ARG 33 -10.198 11.787 3.531 255 HG3 ARG 33 HG2 ARG 33 -9.372 13.068 4.417 256 HD2 ARG 33 HD3 ARG 33 -8.714 12.233 1.576 257 HD3 ARG 33 HD2 ARG 33 -9.684 13.640 2.013 258 HE ARG 33 HE ARG 33 -6.786 13.456 2.170 259 HH11 ARG 33 HH21 ARG 33 -9.658 14.833 3.489 260 HH12 ARG 33 HH22 ARG 33 -8.860 16.243 4.102 261 HH21 ARG 33 HH11 ARG 33 -5.728 15.290 2.962 262 HH22 ARG 33 HH12 ARG 33 -6.635 16.503 3.803 263 H ASP 34 H ASP 34 -8.705 8.096 5.090 264 HA ASP 34 HA ASP 34 -5.982 7.666 6.254 265 HB2 ASP 34 HB2 ASP 34 -8.446 5.899 6.334 266 HB3 ASP 34 HB3 ASP 34 -6.847 5.389 6.879 267 H VAL 35 H VAL 35 -4.566 6.353 5.097 268 HA VAL 35 HA VAL 35 -5.497 5.563 2.373 269 HB VAL 35 HB VAL 35 -2.616 5.664 3.249 270 HG11 VAL 35 HG21 VAL 35 -3.234 4.658 1.060 271 HG12 VAL 35 HG22 VAL 35 -2.262 6.117 0.866 272 HG13 VAL 35 HG23 VAL 35 -4.005 6.175 0.601 273 HG21 VAL 35 HG13 VAL 35 -4.307 7.987 2.266 274 HG22 VAL 35 HG11 VAL 35 -2.557 8.021 2.487 275 HG23 VAL 35 HG12 VAL 35 -3.619 7.828 3.882 276 H PHE 36 H PHE 36 -5.552 3.417 1.838 277 HA PHE 36 HA PHE 36 -4.293 1.501 3.762 278 HB2 PHE 36 HB3 PHE 36 -6.853 1.193 2.164 279 HB3 PHE 36 HB2 PHE 36 -6.123 -0.077 3.146 280 HD1 PHE 36 HD1 PHE 36 -5.995 0.147 5.609 281 HD2 PHE 36 HD2 PHE 36 -7.998 3.066 3.177 282 HE1 PHE 36 HE1 PHE 36 -7.108 1.063 7.627 283 HE2 PHE 36 HE2 PHE 36 -9.112 3.984 5.194 284 HZ PHE 36 HZ PHE 36 -8.667 2.982 7.419 285 H TYR 37 H TYR 37 -3.142 -0.225 2.850 286 HA TYR 37 HA TYR 37 -2.832 -0.122 -0.125 287 HB2 TYR 37 HB3 TYR 37 -0.750 -0.971 1.911 288 HB3 TYR 37 HB2 TYR 37 -0.513 -0.786 0.172 289 HD1 TYR 37 HD2 TYR 37 -1.180 1.025 3.337 290 HD2 TYR 37 HD1 TYR 37 -0.214 1.377 -0.834 291 HE1 TYR 37 HE2 TYR 37 -0.658 3.429 3.661 292 HE2 TYR 37 HE1 TYR 37 0.307 3.781 -0.510 293 HH TYR 37 HH TYR 37 1.104 5.195 1.778 294 H TYR 38 H TYR 38 -2.730 -2.131 -1.212 295 HA TYR 38 HA TYR 38 -3.324 -4.530 0.473 296 HB2 TYR 38 HB3 TYR 38 -4.505 -4.070 -2.272 297 HB3 TYR 38 HB2 TYR 38 -4.999 -5.250 -1.056 298 HD1 TYR 38 HD1 TYR 38 -5.336 -3.919 1.392 299 HD2 TYR 38 HD2 TYR 38 -6.073 -2.375 -2.548 300 HE1 TYR 38 HE1 TYR 38 -6.942 -2.279 2.334 301 HE2 TYR 38 HE2 TYR 38 -7.679 -0.736 -1.606 302 HH TYR 38 HH TYR 38 -7.970 0.390 0.776 303 H SER 39 H SER 39 -2.188 -6.369 -0.092 304 HA SER 39 HA SER 39 -0.214 -6.064 -2.298 305 HB2 SER 39 HB3 SER 39 -0.013 -8.482 -0.656 306 HB3 SER 39 HB2 SER 39 1.210 -7.264 -1.011 307 HG SER 39 HG SER 39 -0.938 -6.706 0.727 308 HA PRO 40 HA PRO 40 -1.757 -9.180 -4.984 309 HB2 PRO 40 HB3 PRO 40 0.316 -11.159 -4.169 310 HB3 PRO 40 HB2 PRO 40 -0.060 -10.515 -5.779 311 HG2 PRO 40 HG3 PRO 40 2.111 -9.738 -4.476 312 HG3 PRO 40 HG2 PRO 40 1.166 -8.594 -5.444 313 HD2 PRO 40 HD3 PRO 40 1.244 -8.904 -2.458 314 HD3 PRO 40 HD2 PRO 40 1.096 -7.415 -3.417 315 H SER 41 H SER 41 -0.955 -10.447 -1.774 316 HA SER 41 HA SER 41 -2.854 -12.680 -2.072 317 HB2 SER 41 HB3 SER 41 -1.422 -11.804 0.445 318 HB3 SER 41 HB2 SER 41 -2.101 -13.388 0.091 319 HG SER 41 HG SER 41 0.336 -12.467 -0.437 320 H GLY 42 H GLY 42 -3.292 -9.492 -1.653 321 HA2 GLY 42 HA2 GLY 42 -5.284 -8.367 -1.023 322 HA3 GLY 42 HA3 GLY 42 -5.895 -9.883 -0.361 323 H LYS 43 H LYS 43 -2.753 -9.260 0.718 324 HA LYS 43 HA LYS 43 -3.548 -8.994 3.451 325 HB2 LYS 43 HB3 LYS 43 -1.336 -9.843 2.853 326 HB3 LYS 43 HB2 LYS 43 -0.920 -8.303 2.100 327 HG2 LYS 43 HG3 LYS 43 -1.197 -7.174 4.290 328 HG3 LYS 43 HG2 LYS 43 -1.559 -8.731 5.034 329 HD2 LYS 43 HD3 LYS 43 0.649 -9.576 4.454 330 HD3 LYS 43 HD2 LYS 43 1.017 -8.096 3.566 331 HE2 LYS 43 HE3 LYS 43 2.046 -8.003 5.785 332 HE3 LYS 43 HE2 LYS 43 0.762 -6.799 5.674 333 HZ1 LYS 43 HZ1 LYS 43 0.020 -9.454 6.628 334 HZ2 LYS 43 HZ2 LYS 43 -0.553 -7.928 7.104 335 HZ3 LYS 43 HZ3 LYS 43 0.942 -8.492 7.680 336 H LYS 44 H LYS 44 -4.462 -7.230 4.375 337 HA LYS 44 HA LYS 44 -4.059 -4.574 3.113 338 HB2 LYS 44 HB3 LYS 44 -5.886 -3.852 4.639 339 HB3 LYS 44 HB2 LYS 44 -6.368 -5.214 3.627 340 HG2 LYS 44 HG3 LYS 44 -5.690 -6.739 5.537 341 HG3 LYS 44 HG2 LYS 44 -5.521 -5.292 6.532 342 HD2 LYS 44 HD3 LYS 44 -8.061 -5.667 4.996 343 HD3 LYS 44 HD2 LYS 44 -7.817 -6.624 6.456 344 HE2 LYS 44 HE3 LYS 44 -8.949 -4.569 7.075 345 HE3 LYS 44 HE2 LYS 44 -7.297 -4.500 7.690 346 HZ1 LYS 44 HZ1 LYS 44 -8.456 -2.597 6.182 347 HZ2 LYS 44 HZ2 LYS 44 -7.610 -3.486 5.009 348 HZ3 LYS 44 HZ3 LYS 44 -6.781 -2.819 6.333 349 H PHE 45 H PHE 45 -2.560 -3.213 3.951 350 HA PHE 45 HA PHE 45 -1.998 -3.328 6.868 351 HB2 PHE 45 HB3 PHE 45 0.450 -3.185 6.393 352 HB3 PHE 45 HB2 PHE 45 -0.258 -4.707 5.852 353 HD1 PHE 45 HD1 PHE 45 -0.696 -5.113 3.449 354 HD2 PHE 45 HD2 PHE 45 1.264 -1.543 4.815 355 HE1 PHE 45 HE1 PHE 45 0.071 -4.649 1.138 356 HE2 PHE 45 HE2 PHE 45 2.030 -1.078 2.502 357 HZ PHE 45 HZ PHE 45 1.434 -2.631 0.664 358 H ARG 46 H ARG 46 -1.342 -1.310 7.727 359 HA ARG 46 HA ARG 46 -1.250 0.957 5.783 360 HB2 ARG 46 HB3 ARG 46 -2.487 2.305 7.533 361 HB3 ARG 46 HB2 ARG 46 -3.449 1.036 6.772 362 HG2 ARG 46 HG3 ARG 46 -3.000 -0.460 8.676 363 HG3 ARG 46 HG2 ARG 46 -2.022 0.793 9.437 364 HD2 ARG 46 HD3 ARG 46 -3.976 2.276 9.555 365 HD3 ARG 46 HD2 ARG 46 -4.962 1.057 8.746 366 HE ARG 46 HE ARG 46 -5.026 -0.183 10.776 367 HH11 ARG 46 HH21 ARG 46 -2.781 2.432 10.845 368 HH12 ARG 46 HH22 ARG 46 -2.507 2.327 12.553 369 HH21 ARG 46 HH11 ARG 46 -4.682 -0.336 13.005 370 HH22 ARG 46 HH12 ARG 46 -3.584 0.760 13.775 371 H SER 47 H SER 47 1.114 -0.004 6.525 372 HA SER 47 HA SER 47 2.206 2.121 8.219 373 HB2 SER 47 HB3 SER 47 2.983 -0.603 9.143 374 HB3 SER 47 HB2 SER 47 2.847 0.895 10.056 375 HG SER 47 HG SER 47 0.574 0.680 9.897 376 H LYS 48 H LYS 48 4.453 2.380 7.865 377 HA LYS 48 HA LYS 48 5.451 1.306 5.379 378 HB2 LYS 48 HB3 LYS 48 6.095 3.457 7.000 379 HB3 LYS 48 HB2 LYS 48 7.482 2.385 7.199 380 HG2 LYS 48 HG3 LYS 48 6.357 3.049 4.476 381 HG3 LYS 48 HG2 LYS 48 7.593 4.046 5.243 382 HD2 LYS 48 HD3 LYS 48 8.046 1.093 5.148 383 HD3 LYS 48 HD2 LYS 48 8.251 2.008 3.654 384 HE2 LYS 48 HE3 LYS 48 9.627 2.599 6.291 385 HE3 LYS 48 HE2 LYS 48 10.382 1.867 4.876 386 HZ1 LYS 48 HZ1 LYS 48 9.716 3.905 3.631 387 HZ2 LYS 48 HZ2 LYS 48 10.881 4.168 4.840 388 HZ3 LYS 48 HZ3 LYS 48 9.259 4.603 5.108 389 HA PRO 49 HA PRO 49 8.311 -1.126 8.607 390 HB2 PRO 49 HB3 PRO 49 6.126 -1.615 10.577 391 HB3 PRO 49 HB2 PRO 49 7.852 -1.313 10.858 392 HG2 PRO 49 HG3 PRO 49 6.047 0.562 11.345 393 HG3 PRO 49 HG2 PRO 49 7.625 0.968 10.650 394 HD2 PRO 49 HD3 PRO 49 4.950 0.805 9.280 395 HD3 PRO 49 HD2 PRO 49 6.293 1.929 8.970 396 H GLN 50 H GLN 50 4.813 -1.883 8.498 397 HA GLN 50 HA GLN 50 5.236 -4.731 8.209 398 HB2 GLN 50 HB3 GLN 50 2.835 -2.994 7.560 399 HB3 GLN 50 HB2 GLN 50 2.823 -4.758 7.561 400 HG2 GLN 50 HG2 GLN 50 3.536 -3.025 9.946 401 HG3 GLN 50 HG3 GLN 50 1.982 -3.826 9.706 402 HE21 GLN 50 HE21 GLN 50 1.982 -6.236 9.709 403 HE22 GLN 50 HE22 GLN 50 3.233 -7.079 10.486 404 H LEU 51 H LEU 51 4.770 -2.047 5.943 405 HA LEU 51 HA LEU 51 4.474 -3.630 3.579 406 HB2 LEU 51 HB2 LEU 51 4.160 -1.057 3.952 407 HB3 LEU 51 HB3 LEU 51 5.879 -0.970 3.565 408 HG LEU 51 HG LEU 51 3.808 -2.328 1.816 409 HD11 LEU 51 HD11 LEU 51 5.204 0.227 1.096 410 HD12 LEU 51 HD12 LEU 51 3.798 0.297 2.158 411 HD13 LEU 51 HD13 LEU 51 3.649 -0.391 0.540 412 HD21 LEU 51 HD21 LEU 51 6.769 -1.910 1.710 413 HD22 LEU 51 HD22 LEU 51 5.872 -1.837 0.194 414 HD23 LEU 51 HD23 LEU 51 5.813 -3.296 1.183 415 H ALA 52 H ALA 52 7.372 -2.160 5.069 416 HA ALA 52 HA ALA 52 9.211 -3.205 3.125 417 HB1 ALA 52 HB1 ALA 52 9.824 -2.580 6.025 418 HB2 ALA 52 HB2 ALA 52 9.669 -1.338 4.784 419 HB3 ALA 52 HB3 ALA 52 10.943 -2.551 4.663 420 H ARG 53 H ARG 53 8.080 -4.424 6.274 421 HA ARG 53 HA ARG 53 9.779 -6.676 6.477 422 HB2 ARG 53 HB3 ARG 53 8.230 -5.916 8.272 423 HB3 ARG 53 HB2 ARG 53 6.868 -6.499 7.314 424 HG2 ARG 53 HG3 ARG 53 7.778 -8.782 7.376 425 HG3 ARG 53 HG2 ARG 53 9.170 -8.212 8.297 426 HD2 ARG 53 HD3 ARG 53 7.588 -7.411 10.075 427 HD3 ARG 53 HD2 ARG 53 6.271 -8.170 9.180 428 HE ARG 53 HE ARG 53 8.376 -9.580 10.688 429 HH11 ARG 53 HH21 ARG 53 5.809 -9.632 8.386 430 HH12 ARG 53 HH22 ARG 53 5.518 -11.331 8.552 431 HH21 ARG 53 HH11 ARG 53 8.009 -11.799 10.918 432 HH22 ARG 53 HH12 ARG 53 6.763 -12.558 9.985 433 H TYR 54 H TYR 54 6.607 -6.372 4.863 434 HA TYR 54 HA TYR 54 6.525 -9.091 3.937 435 HB2 TYR 54 HB3 TYR 54 4.616 -7.347 4.024 436 HB3 TYR 54 HB2 TYR 54 5.257 -6.769 2.486 437 HD1 TYR 54 HD2 TYR 54 5.677 -8.585 0.648 438 HD2 TYR 54 HD1 TYR 54 3.108 -9.140 4.045 439 HE1 TYR 54 HE2 TYR 54 4.513 -10.429 -0.533 440 HE2 TYR 54 HE1 TYR 54 1.943 -10.985 2.864 441 HH TYR 54 HH TYR 54 1.899 -12.266 1.050 442 H LEU 55 H LEU 55 7.495 -6.062 2.293 443 HA LEU 55 HA LEU 55 8.391 -7.430 -0.092 444 HB2 LEU 55 HB2 LEU 55 8.580 -4.659 1.005 445 HB3 LEU 55 HB3 LEU 55 9.724 -5.117 -0.258 446 HG LEU 55 HG LEU 55 7.596 -4.108 -1.141 447 HD11 LEU 55 HD11 LEU 55 9.093 -6.138 -2.150 448 HD12 LEU 55 HD12 LEU 55 7.724 -5.426 -3.005 449 HD13 LEU 55 HD13 LEU 55 7.511 -6.918 -2.088 450 HD21 LEU 55 HD21 LEU 55 6.305 -5.463 0.749 451 HD22 LEU 55 HD22 LEU 55 6.221 -6.693 -0.510 452 HD23 LEU 55 HD23 LEU 55 5.527 -5.098 -0.790 453 H GLY 56 H GLY 56 9.625 -7.430 2.995 454 HA2 GLY 56 HA2 GLY 56 12.391 -7.050 2.762 455 HA3 GLY 56 HA3 GLY 56 11.664 -8.253 3.829 456 H GLY 57 H GLY 57 14.115 -8.723 2.503 457 HA2 GLY 57 HA2 GLY 57 15.169 -10.364 1.199 458 HA3 GLY 57 HA3 GLY 57 13.664 -11.276 1.334 459 H SER 58 H SER 58 11.823 -10.092 -0.072 460 HA SER 58 HA SER 58 12.564 -10.474 -2.796 461 HB2 SER 58 HB3 SER 58 10.353 -9.512 -3.325 462 HB3 SER 58 HB2 SER 58 10.238 -10.666 -1.998 463 HG SER 58 HG SER 58 9.458 -9.087 -0.871 464 H MET 59 H MET 59 12.600 -7.631 -0.743 465 HA MET 59 HA MET 59 14.407 -6.151 -2.277 466 HB2 MET 59 HB3 MET 59 11.794 -6.226 -3.493 467 HB3 MET 59 HB2 MET 59 12.165 -4.576 -2.993 468 HG2 MET 59 HG3 MET 59 14.257 -4.612 -4.215 469 HG3 MET 59 HG2 MET 59 14.054 -6.323 -4.595 470 HE1 MET 59 HE1 MET 59 11.880 -2.682 -6.232 471 HE2 MET 59 HE2 MET 59 12.880 -2.844 -4.791 472 HE3 MET 59 HE3 MET 59 11.200 -3.371 -4.751 473 H ASP 60 H ASP 60 15.096 -4.618 -0.863 474 HA ASP 60 HA ASP 60 13.599 -4.013 1.535 475 HB2 ASP 60 HB2 ASP 60 16.115 -3.988 1.347 476 HB3 ASP 60 HB3 ASP 60 15.972 -2.502 0.407 477 H LEU 61 H LEU 61 12.674 -1.959 2.120 478 HA LEU 61 HA LEU 61 12.119 -0.133 -0.177 479 HB2 LEU 61 HB2 LEU 61 10.223 -1.746 1.375 480 HB3 LEU 61 HB3 LEU 61 9.811 -0.031 1.348 481 HG LEU 61 HG LEU 61 10.057 -0.054 -1.139 482 HD11 LEU 61 HD11 LEU 61 11.313 -1.789 -1.904 483 HD12 LEU 61 HD12 LEU 61 9.799 -2.691 -1.850 484 HD13 LEU 61 HD13 LEU 61 10.938 -2.798 -0.507 485 HD21 LEU 61 HD21 LEU 61 8.117 -2.152 -0.117 486 HD22 LEU 61 HD22 LEU 61 7.939 -1.160 -1.564 487 HD23 LEU 61 HD23 LEU 61 7.855 -0.414 0.031 488 H SER 62 H SER 62 13.908 -0.062 2.269 489 HA SER 62 HA SER 62 12.927 1.629 4.287 490 HB2 SER 62 HB3 SER 62 15.679 1.502 3.031 491 HB3 SER 62 HB2 SER 62 15.315 2.437 4.479 492 HG SER 62 HG SER 62 14.410 -0.172 4.482 493 H THR 63 H THR 63 13.942 2.413 1.004 494 HA THR 63 HA THR 63 13.575 5.307 1.539 495 HB THR 63 HB THR 63 14.295 5.496 -0.896 496 HG1 THR 63 HG1 THR 63 15.195 2.862 -0.636 497 HG21 THR 63 HG21 THR 63 15.826 5.687 1.104 498 HG22 THR 63 HG22 THR 63 16.621 5.153 -0.377 499 HG23 THR 63 HG23 THR 63 16.222 3.984 0.881 500 H PHE 64 H PHE 64 11.267 3.537 1.672 501 HA PHE 64 HA PHE 64 9.775 4.222 -0.809 502 HB2 PHE 64 HB3 PHE 64 9.596 1.898 -0.028 503 HB3 PHE 64 HB2 PHE 64 9.022 2.459 1.544 504 HD1 PHE 64 HD1 PHE 64 8.232 2.525 -2.107 505 HD2 PHE 64 HD2 PHE 64 6.733 2.921 1.899 506 HE1 PHE 64 HE1 PHE 64 5.912 2.602 -2.982 507 HE2 PHE 64 HE2 PHE 64 4.414 2.999 1.024 508 HZ PHE 64 HZ PHE 64 4.003 2.839 -1.417 509 H ASP 65 H ASP 65 8.345 5.895 -0.803 510 HA ASP 65 HA ASP 65 7.987 7.448 1.656 511 HB2 ASP 65 HB2 ASP 65 7.025 7.792 -1.192 512 HB3 ASP 65 HB3 ASP 65 6.547 8.886 0.108 513 H PHE 66 H PHE 66 6.467 6.816 3.108 514 HA PHE 66 HA PHE 66 4.257 5.077 2.348 515 HB2 PHE 66 HB3 PHE 66 5.438 5.073 4.602 516 HB3 PHE 66 HB2 PHE 66 4.591 6.580 4.956 517 HD1 PHE 66 HD2 PHE 66 4.076 3.004 4.034 518 HD2 PHE 66 HD1 PHE 66 2.315 6.581 5.632 519 HE1 PHE 66 HE2 PHE 66 2.059 1.718 4.688 520 HE2 PHE 66 HE1 PHE 66 0.298 5.295 6.286 521 HZ PHE 66 HZ PHE 66 0.170 2.864 5.814 522 H ARG 67 H ARG 67 4.604 8.504 3.237 523 HA ARG 67 HA ARG 67 1.809 9.110 3.285 524 HB2 ARG 67 HB3 ARG 67 4.130 10.927 2.564 525 HB3 ARG 67 HB2 ARG 67 2.516 11.454 3.041 526 HG2 ARG 67 HG3 ARG 67 4.193 9.667 4.807 527 HG3 ARG 67 HG2 ARG 67 4.311 11.425 4.883 528 HD2 ARG 67 HD3 ARG 67 1.830 9.749 5.355 529 HD3 ARG 67 HD2 ARG 67 2.704 10.708 6.549 530 HE ARG 67 HE ARG 67 1.935 12.475 4.482 531 HH11 ARG 67 HH21 ARG 67 0.545 10.389 6.848 532 HH12 ARG 67 HH22 ARG 67 -0.888 11.342 7.041 533 HH21 ARG 67 HH11 ARG 67 0.071 13.732 4.719 534 HH22 ARG 67 HH12 ARG 67 -1.156 13.236 5.835 535 H THR 68 H THR 68 4.181 9.017 0.658 536 HA THR 68 HA THR 68 2.107 9.918 -1.264 537 HB THR 68 HB THR 68 3.884 10.171 -2.842 538 HG1 THR 68 HG1 THR 68 4.840 8.098 -2.184 539 HG21 THR 68 HG21 THR 68 3.896 11.895 -1.117 540 HG22 THR 68 HG22 THR 68 5.556 11.514 -1.572 541 HG23 THR 68 HG23 THR 68 4.887 10.878 -0.070 542 H GLY 69 H GLY 69 3.498 7.034 -0.042 543 HA2 GLY 69 HA2 GLY 69 3.112 4.788 -0.603 544 HA3 GLY 69 HA3 GLY 69 1.776 5.357 -1.605 545 H LYS 70 H LYS 70 5.168 6.310 -1.962 546 HA LYS 70 HA LYS 70 5.403 4.625 -4.391 547 HB2 LYS 70 HB3 LYS 70 5.629 7.650 -4.374 548 HB3 LYS 70 HB2 LYS 70 6.181 6.628 -5.702 549 HG2 LYS 70 HG3 LYS 70 3.873 5.694 -5.891 550 HG3 LYS 70 HG2 LYS 70 3.346 6.830 -4.649 551 HD2 LYS 70 HD3 LYS 70 4.616 7.608 -7.291 552 HD3 LYS 70 HD2 LYS 70 2.891 7.689 -6.933 553 HE2 LYS 70 HE3 LYS 70 3.415 9.838 -6.341 554 HE3 LYS 70 HE2 LYS 70 3.851 9.066 -4.815 555 HZ1 LYS 70 HZ1 LYS 70 5.823 10.032 -5.188 556 HZ2 LYS 70 HZ2 LYS 70 5.546 10.228 -6.853 557 HZ3 LYS 70 HZ3 LYS 70 6.087 8.736 -6.247 558 H MET 71 H MET 71 7.681 4.641 -5.213 559 HA MET 71 HA MET 71 9.548 4.615 -2.957 560 HB2 MET 71 HB3 MET 71 9.663 2.855 -4.669 561 HB3 MET 71 HB2 MET 71 9.983 4.067 -5.911 562 HG2 MET 71 HG3 MET 71 12.084 3.025 -5.180 563 HG3 MET 71 HG2 MET 71 12.051 4.726 -4.716 564 HE1 MET 71 HE1 MET 71 13.497 1.678 -3.423 565 HE2 MET 71 HE2 MET 71 11.881 1.142 -3.877 566 HE3 MET 71 HE3 MET 71 12.394 1.041 -2.195 567 H LEU 72 H LEU 72 10.898 6.268 -2.424 568 HA LEU 72 HA LEU 72 11.842 8.424 -2.497 569 HB2 LEU 72 HB2 LEU 72 13.141 6.953 -4.244 570 HB3 LEU 72 HB3 LEU 72 12.317 7.966 -5.429 571 HG LEU 72 HG LEU 72 13.959 9.036 -3.117 572 HD11 LEU 72 HD11 LEU 72 15.376 7.851 -4.747 573 HD12 LEU 72 HD12 LEU 72 15.634 9.593 -4.852 574 HD13 LEU 72 HD13 LEU 72 14.645 8.773 -6.060 575 HD21 LEU 72 HD21 LEU 72 12.443 10.726 -3.715 576 HD22 LEU 72 HD22 LEU 72 12.440 10.254 -5.414 577 HD23 LEU 72 HD23 LEU 72 13.835 11.093 -4.734 Start of MODEL 7 1 H1 GLY 1 H1 GLY 1 -20.416 9.279 -12.186 2 H2 GLY 1 H2 GLY 1 -22.082 9.604 -12.229 3 H3 GLY 1 H3 GLY 1 -21.508 8.054 -12.620 4 HA2 GLY 1 HA2 GLY 1 -22.593 8.644 -10.233 5 HA3 GLY 1 HA3 GLY 1 -21.184 7.554 -10.410 6 H SER 2 H SER 2 -19.153 9.297 -11.087 7 HA SER 2 HA SER 2 -17.216 9.709 -9.817 8 HB2 SER 2 HB3 SER 2 -18.040 11.686 -8.979 9 HB3 SER 2 HB2 SER 2 -19.500 10.930 -8.348 10 HG SER 2 HG SER 2 -17.553 11.657 -6.917 11 H MET 3 H MET 3 -16.515 7.567 -9.428 12 HA MET 3 HA MET 3 -17.621 6.054 -7.170 13 HB2 MET 3 HB3 MET 3 -15.329 5.545 -9.083 14 HB3 MET 3 HB2 MET 3 -15.753 4.442 -7.772 15 HG2 MET 3 HG3 MET 3 -18.003 4.166 -8.686 16 HG3 MET 3 HG2 MET 3 -17.657 5.339 -9.956 17 HE1 MET 3 HE1 MET 3 -15.166 2.284 -8.629 18 HE2 MET 3 HE2 MET 3 -16.225 1.089 -9.373 19 HE3 MET 3 HE3 MET 3 -16.884 2.234 -8.207 20 H GLU 4 H GLU 4 -16.799 6.059 -5.120 21 HA GLU 4 HA GLU 4 -14.619 7.901 -4.481 22 HB2 GLU 4 HB3 GLU 4 -16.280 6.013 -2.789 23 HB3 GLU 4 HB2 GLU 4 -15.035 7.072 -2.128 24 HG2 GLU 4 HG2 GLU 4 -16.207 9.039 -3.013 25 HG3 GLU 4 HG3 GLU 4 -17.441 7.998 -3.726 26 H ARG 5 H ARG 5 -13.171 6.690 -2.521 27 HA ARG 5 HA ARG 5 -11.285 5.320 -2.247 28 HB2 ARG 5 HB3 ARG 5 -13.150 3.391 -3.661 29 HB3 ARG 5 HB2 ARG 5 -11.626 2.921 -2.908 30 HG2 ARG 5 HG3 ARG 5 -12.415 3.707 -0.733 31 HG3 ARG 5 HG2 ARG 5 -13.912 4.290 -1.461 32 HD2 ARG 5 HD3 ARG 5 -14.300 2.110 -0.415 33 HD3 ARG 5 HD2 ARG 5 -14.448 1.967 -2.166 34 HE ARG 5 HE ARG 5 -11.749 1.391 -1.383 35 HH11 ARG 5 HH21 ARG 5 -14.977 0.185 -1.293 36 HH12 ARG 5 HH22 ARG 5 -14.497 -1.479 -1.278 37 HH21 ARG 5 HH11 ARG 5 -11.102 -0.775 -1.362 38 HH22 ARG 5 HH12 ARG 5 -12.303 -2.021 -1.316 39 H LYS 6 H LYS 6 -9.541 5.945 -3.439 40 HA LYS 6 HA LYS 6 -9.607 5.432 -6.383 41 HB2 LYS 6 HB3 LYS 6 -7.636 7.227 -4.965 42 HB3 LYS 6 HB2 LYS 6 -8.105 7.240 -6.666 43 HG2 LYS 6 HG3 LYS 6 -9.869 8.002 -4.319 44 HG3 LYS 6 HG2 LYS 6 -9.174 9.110 -5.503 45 HD2 LYS 6 HD3 LYS 6 -10.393 7.712 -7.283 46 HD3 LYS 6 HD2 LYS 6 -11.295 7.005 -5.941 47 HE2 LYS 6 HE3 LYS 6 -12.586 8.865 -6.768 48 HE3 LYS 6 HE2 LYS 6 -11.893 9.353 -5.222 49 HZ1 LYS 6 HZ1 LYS 6 -11.704 10.851 -7.364 50 HZ2 LYS 6 HZ2 LYS 6 -10.333 9.885 -7.635 51 HZ3 LYS 6 HZ3 LYS 6 -10.468 10.794 -6.204 52 H ARG 7 H ARG 7 -8.762 3.367 -6.567 53 HA ARG 7 HA ARG 7 -6.295 2.715 -5.039 54 HB2 ARG 7 HB3 ARG 7 -8.171 1.076 -5.041 55 HB3 ARG 7 HB2 ARG 7 -8.017 0.936 -6.793 56 HG2 ARG 7 HG3 ARG 7 -5.636 0.231 -6.476 57 HG3 ARG 7 HG2 ARG 7 -5.907 0.238 -4.733 58 HD2 ARG 7 HD3 ARG 7 -7.489 -1.422 -6.718 59 HD3 ARG 7 HD2 ARG 7 -6.171 -2.036 -5.718 60 HE ARG 7 HE ARG 7 -7.779 -1.041 -3.803 61 HH11 ARG 7 HH21 ARG 7 -8.476 -2.808 -6.680 62 HH12 ARG 7 HH22 ARG 7 -9.891 -3.565 -6.032 63 HH21 ARG 7 HH11 ARG 7 -9.626 -2.019 -2.939 64 HH22 ARG 7 HH12 ARG 7 -10.543 -3.119 -3.914 65 H TRP 8 H TRP 8 -4.390 3.105 -6.049 66 HA TRP 8 HA TRP 8 -4.252 2.649 -8.998 67 HB2 TRP 8 HB3 TRP 8 -2.400 4.622 -8.624 68 HB3 TRP 8 HB2 TRP 8 -4.055 4.915 -9.164 69 HD1 TRP 8 HD1 TRP 8 -2.628 4.150 -5.644 70 HE1 TRP 8 HE1 TRP 8 -3.498 5.955 -4.021 71 HE3 TRP 8 HE3 TRP 8 -5.252 7.078 -8.904 72 HZ2 TRP 8 HZ2 TRP 8 -5.094 8.327 -4.095 73 HZ3 TRP 8 HZ3 TRP 8 -6.438 9.102 -8.102 74 HH2 TRP 8 HH2 TRP 8 -6.362 9.730 -5.705 75 H GLU 9 H GLU 9 -2.168 1.931 -9.735 76 HA GLU 9 HA GLU 9 -0.627 0.547 -7.624 77 HB2 GLU 9 HB3 GLU 9 -1.311 -0.634 -9.730 78 HB3 GLU 9 HB2 GLU 9 -0.259 0.456 -10.633 79 HG2 GLU 9 HG2 GLU 9 1.679 -0.311 -9.323 80 HG3 GLU 9 HG3 GLU 9 0.635 -1.390 -8.398 81 H CYS 10 H CYS 10 1.523 1.029 -7.143 82 HA CYS 10 HA CYS 10 2.571 3.545 -8.366 83 HB2 CYS 10 HB3 CYS 10 2.560 2.445 -5.638 84 HB3 CYS 10 HB2 CYS 10 4.134 3.057 -6.149 85 HG CYS 10 HG CYS 10 1.531 4.790 -6.070 86 HA PRO 11 HA PRO 11 5.971 1.438 -10.197 87 HB2 PRO 11 HB3 PRO 11 8.061 3.132 -9.613 88 HB3 PRO 11 HB2 PRO 11 6.851 3.447 -10.870 89 HG2 PRO 11 HG3 PRO 11 7.020 4.518 -8.097 90 HG3 PRO 11 HG2 PRO 11 6.564 5.340 -9.598 91 HD2 PRO 11 HD3 PRO 11 4.694 4.509 -7.810 92 HD3 PRO 11 HD2 PRO 11 4.388 4.511 -9.560 93 H ALA 12 H ALA 12 6.129 2.203 -6.801 94 HA ALA 12 HA ALA 12 8.474 0.439 -6.391 95 HB1 ALA 12 HB1 ALA 12 7.878 2.707 -5.137 96 HB2 ALA 12 HB2 ALA 12 8.662 1.379 -4.280 97 HB3 ALA 12 HB3 ALA 12 6.922 1.626 -4.123 98 H LEU 13 H LEU 13 5.168 0.090 -6.700 99 HA LEU 13 HA LEU 13 5.006 -2.138 -4.735 100 HB2 LEU 13 HB2 LEU 13 3.033 -0.421 -6.162 101 HB3 LEU 13 HB3 LEU 13 2.543 -2.081 -5.821 102 HG LEU 13 HG LEU 13 3.089 -1.765 -3.441 103 HD11 LEU 13 HD11 LEU 13 4.874 -0.188 -3.497 104 HD12 LEU 13 HD12 LEU 13 3.533 0.659 -2.726 105 HD13 LEU 13 HD13 LEU 13 3.918 0.973 -4.417 106 HD21 LEU 13 HD21 LEU 13 1.200 0.121 -4.824 107 HD22 LEU 13 HD22 LEU 13 1.404 0.232 -3.076 108 HD23 LEU 13 HD23 LEU 13 0.834 -1.270 -3.804 109 HA PRO 14 HA PRO 14 6.233 -4.853 -8.105 110 HB2 PRO 14 HB3 PRO 14 5.124 -6.846 -6.184 111 HB3 PRO 14 HB2 PRO 14 6.699 -6.819 -7.001 112 HG2 PRO 14 HG3 PRO 14 6.425 -6.194 -4.410 113 HG3 PRO 14 HG2 PRO 14 7.634 -5.423 -5.453 114 HD2 PRO 14 HD3 PRO 14 5.106 -4.312 -4.355 115 HD3 PRO 14 HD2 PRO 14 6.610 -3.487 -4.821 116 H GLN 15 H GLN 15 5.104 -6.249 -9.606 117 HA GLN 15 HA GLN 15 2.480 -5.553 -10.278 118 HB2 GLN 15 HB3 GLN 15 3.917 -8.181 -10.760 119 HB3 GLN 15 HB2 GLN 15 2.422 -7.703 -11.565 120 HG2 GLN 15 HG2 GLN 15 3.520 -5.752 -12.536 121 HG3 GLN 15 HG3 GLN 15 5.006 -6.120 -11.659 122 HE21 GLN 15 HE21 GLN 15 3.463 -6.564 -14.638 123 HE22 GLN 15 HE22 GLN 15 4.378 -7.877 -15.201 124 H GLY 16 H GLY 16 0.826 -5.647 -8.807 125 HA2 GLY 16 HA2 GLY 16 -0.897 -7.399 -8.103 126 HA3 GLY 16 HA3 GLY 16 0.457 -8.222 -7.327 127 H TRP 17 H TRP 17 1.628 -5.548 -6.556 128 HA TRP 17 HA TRP 17 -0.008 -5.180 -4.114 129 HB2 TRP 17 HB3 TRP 17 2.718 -4.119 -4.912 130 HB3 TRP 17 HB2 TRP 17 1.931 -3.778 -3.370 131 HD1 TRP 17 HD1 TRP 17 2.962 -6.871 -5.458 132 HE1 TRP 17 HE1 TRP 17 3.681 -8.733 -3.826 133 HE3 TRP 17 HE3 TRP 17 2.031 -4.551 -1.005 134 HZ2 TRP 17 HZ2 TRP 17 3.840 -9.179 -1.006 135 HZ3 TRP 17 HZ3 TRP 17 2.473 -5.715 1.137 136 HH2 TRP 17 HH2 TRP 17 3.378 -8.023 1.142 137 H GLU 18 H GLU 18 -1.086 -3.265 -3.646 138 HA GLU 18 HA GLU 18 -0.736 -0.926 -5.407 139 HB2 GLU 18 HB3 GLU 18 -3.305 -2.522 -5.255 140 HB3 GLU 18 HB2 GLU 18 -3.230 -0.866 -5.859 141 HG2 GLU 18 HG2 GLU 18 -1.568 -1.578 -7.558 142 HG3 GLU 18 HG3 GLU 18 -1.710 -3.238 -6.979 143 H ARG 19 H ARG 19 -2.123 0.925 -4.594 144 HA ARG 19 HA ARG 19 -2.984 0.594 -1.767 145 HB2 ARG 19 HB3 ARG 19 -1.801 2.738 -1.196 146 HB3 ARG 19 HB2 ARG 19 -0.705 1.411 -1.585 147 HG2 ARG 19 HG3 ARG 19 -0.250 2.276 -3.749 148 HG3 ARG 19 HG2 ARG 19 -1.623 3.381 -3.682 149 HD2 ARG 19 HD3 ARG 19 0.642 3.580 -1.700 150 HD3 ARG 19 HD2 ARG 19 0.725 4.379 -3.270 151 HE ARG 19 HE ARG 19 -1.719 5.189 -2.267 152 HH11 ARG 19 HH21 ARG 19 1.537 5.137 -1.139 153 HH12 ARG 19 HH22 ARG 19 1.359 6.550 -0.153 154 HH21 ARG 19 HH11 ARG 19 -1.971 7.036 -0.987 155 HH22 ARG 19 HH12 ARG 19 -0.627 7.626 -0.069 156 H GLU 20 H GLU 20 -4.649 2.039 -1.171 157 HA GLU 20 HA GLU 20 -5.599 3.891 -3.313 158 HB2 GLU 20 HB3 GLU 20 -7.818 3.099 -3.167 159 HB3 GLU 20 HB2 GLU 20 -6.851 1.625 -3.155 160 HG2 GLU 20 HG2 GLU 20 -6.902 1.750 -0.614 161 HG3 GLU 20 HG3 GLU 20 -8.114 3.019 -0.785 162 H GLU 21 H GLU 21 -6.583 5.790 -2.532 163 HA GLU 21 HA GLU 21 -6.209 6.274 0.381 164 HB2 GLU 21 HB3 GLU 21 -5.162 7.853 -1.256 165 HB3 GLU 21 HB2 GLU 21 -6.777 8.263 -1.838 166 HG2 GLU 21 HG2 GLU 21 -7.410 9.061 0.387 167 HG3 GLU 21 HG3 GLU 21 -5.836 8.587 1.027 168 H VAL 22 H VAL 22 -7.956 6.704 1.704 169 HA VAL 22 HA VAL 22 -10.625 7.008 0.406 170 HB VAL 22 HB VAL 22 -10.274 5.288 2.854 171 HG11 VAL 22 HG21 VAL 22 -12.540 5.930 2.342 172 HG12 VAL 22 HG22 VAL 22 -12.351 4.248 1.846 173 HG13 VAL 22 HG23 VAL 22 -12.325 5.531 0.636 174 HG21 VAL 22 HG13 VAL 22 -10.343 3.342 1.183 175 HG22 VAL 22 HG11 VAL 22 -8.811 4.206 1.311 176 HG23 VAL 22 HG12 VAL 22 -9.890 4.522 -0.048 177 HA PRO 23 HA PRO 23 -10.983 10.495 3.137 178 HB2 PRO 23 HB3 PRO 23 -13.857 9.679 3.118 179 HB3 PRO 23 HB2 PRO 23 -13.128 11.260 2.771 180 HG2 PRO 23 HG3 PRO 23 -14.050 9.681 0.827 181 HG3 PRO 23 HG2 PRO 23 -12.621 10.706 0.608 182 HD2 PRO 23 HD3 PRO 23 -12.772 7.746 0.929 183 HD3 PRO 23 HD2 PRO 23 -11.579 8.759 0.088 184 H ARG 24 H ARG 24 -11.349 10.871 5.387 185 HA ARG 24 HA ARG 24 -11.027 8.666 7.138 186 HB2 ARG 24 HB3 ARG 24 -11.738 10.315 8.935 187 HB3 ARG 24 HB2 ARG 24 -10.415 10.862 7.903 188 HG2 ARG 24 HG3 ARG 24 -11.626 12.648 7.272 189 HG3 ARG 24 HG2 ARG 24 -12.891 11.585 6.657 190 HD2 ARG 24 HD3 ARG 24 -13.733 11.381 9.041 191 HD3 ARG 24 HD2 ARG 24 -12.608 12.670 9.469 192 HE ARG 24 HE ARG 24 -15.113 13.005 8.028 193 HH11 ARG 24 HH21 ARG 24 -11.903 14.155 8.531 194 HH12 ARG 24 HH22 ARG 24 -12.267 15.780 8.053 195 HH21 ARG 24 HH11 ARG 24 -15.608 15.119 7.401 196 HH22 ARG 24 HH12 ARG 24 -14.366 16.326 7.413 197 H ARG 25 H ARG 25 -12.645 7.096 6.622 198 HA ARG 25 HA ARG 25 -15.435 7.543 6.519 199 HB2 ARG 25 HB3 ARG 25 -13.846 5.138 7.448 200 HB3 ARG 25 HB2 ARG 25 -15.600 5.121 7.263 201 HG2 ARG 25 HG3 ARG 25 -15.365 5.748 4.893 202 HG3 ARG 25 HG2 ARG 25 -13.612 5.786 5.071 203 HD2 ARG 25 HD3 ARG 25 -13.616 3.395 5.676 204 HD3 ARG 25 HD2 ARG 25 -15.371 3.352 5.508 205 HE ARG 25 HE ARG 25 -14.114 4.321 3.089 206 HH11 ARG 25 HH21 ARG 25 -14.826 1.539 4.999 207 HH12 ARG 25 HH22 ARG 25 -14.837 0.452 3.649 208 HH21 ARG 25 HH11 ARG 25 -14.124 2.918 1.317 209 HH22 ARG 25 HH12 ARG 25 -14.440 1.233 1.566 210 H SER 26 H SER 26 -13.927 5.916 9.315 211 HA SER 26 HA SER 26 -15.016 7.856 11.201 212 HB2 SER 26 HB3 SER 26 -17.076 6.661 10.738 213 HB3 SER 26 HB2 SER 26 -16.271 5.108 10.942 214 HG SER 26 HG SER 26 -15.735 6.291 13.128 215 H GLY 27 H GLY 27 -12.449 7.296 11.096 216 HA2 GLY 27 HA2 GLY 27 -11.825 5.017 12.880 217 HA3 GLY 27 HA3 GLY 27 -10.643 6.029 12.049 218 H LEU 28 H LEU 28 -10.119 5.595 14.657 219 HA LEU 28 HA LEU 28 -11.351 7.431 16.490 220 HB2 LEU 28 HB2 LEU 28 -8.748 5.915 16.457 221 HB3 LEU 28 HB3 LEU 28 -9.079 7.095 17.728 222 HG LEU 28 HG LEU 28 -11.193 5.908 18.256 223 HD11 LEU 28 HD11 LEU 28 -11.261 3.503 17.231 224 HD12 LEU 28 HD12 LEU 28 -10.253 4.201 15.962 225 HD13 LEU 28 HD13 LEU 28 -11.862 4.855 16.269 226 HD21 LEU 28 HD21 LEU 28 -10.096 3.798 19.138 227 HD22 LEU 28 HD22 LEU 28 -9.257 5.292 19.557 228 HD23 LEU 28 HD23 LEU 28 -8.642 4.270 18.258 229 H SER 29 H SER 29 -8.489 7.667 14.393 230 HA SER 29 HA SER 29 -8.119 10.487 15.253 231 HB2 SER 29 HB3 SER 29 -6.002 10.370 14.018 232 HB3 SER 29 HB2 SER 29 -6.125 9.008 15.127 233 HG SER 29 HG SER 29 -6.429 9.086 12.326 234 H ALA 30 H ALA 30 -10.303 9.332 13.408 235 HA ALA 30 HA ALA 30 -10.045 9.990 10.740 236 HB1 ALA 30 HB1 ALA 30 -12.299 10.325 12.688 237 HB2 ALA 30 HB2 ALA 30 -12.190 9.275 11.275 238 HB3 ALA 30 HB3 ALA 30 -12.472 11.004 11.070 239 H GLY 31 H GLY 31 -10.914 12.072 9.647 240 HA2 GLY 31 HA2 GLY 31 -11.192 14.564 10.094 241 HA3 GLY 31 HA3 GLY 31 -9.721 14.425 11.062 242 H HIS 32 H HIS 32 -8.853 12.362 8.882 243 HA HIS 32 HA HIS 32 -8.141 14.348 6.769 244 HB2 HIS 32 HB2 HIS 32 -6.224 12.341 7.992 245 HB3 HIS 32 HB3 HIS 32 -5.845 13.531 6.745 246 HD1 HIS 32 HD1 HIS 32 -6.315 13.146 10.416 247 HD2 HIS 32 HD2 HIS 32 -5.811 16.268 7.696 248 HE1 HIS 32 HE1 HIS 32 -5.781 15.212 11.784 249 HE2 HIS 32 HE2 HIS 32 -5.473 17.117 10.138 250 H ARG 33 H ARG 33 -6.380 12.199 5.594 251 HA ARG 33 HA ARG 33 -8.578 10.462 4.541 252 HB2 ARG 33 HB3 ARG 33 -6.091 11.507 3.149 253 HB3 ARG 33 HB2 ARG 33 -7.215 10.343 2.443 254 HG2 ARG 33 HG3 ARG 33 -9.051 11.976 2.661 255 HG3 ARG 33 HG2 ARG 33 -7.933 13.142 3.372 256 HD2 ARG 33 HD3 ARG 33 -6.569 13.058 1.292 257 HD3 ARG 33 HD2 ARG 33 -7.758 11.969 0.580 258 HE ARG 33 HE ARG 33 -9.027 14.380 1.532 259 HH11 ARG 33 HH21 ARG 33 -7.044 13.031 -0.943 260 HH12 ARG 33 HH22 ARG 33 -7.558 14.158 -2.155 261 HH21 ARG 33 HH11 ARG 33 -9.709 15.861 -0.034 262 HH22 ARG 33 HH12 ARG 33 -9.067 15.760 -1.639 263 H ASP 34 H ASP 34 -8.248 8.269 4.648 264 HA ASP 34 HA ASP 34 -5.664 7.370 5.829 265 HB2 ASP 34 HB2 ASP 34 -7.961 6.848 6.904 266 HB3 ASP 34 HB3 ASP 34 -8.163 5.695 5.582 267 H VAL 35 H VAL 35 -4.404 5.841 4.764 268 HA VAL 35 HA VAL 35 -5.375 5.003 2.060 269 HB VAL 35 HB VAL 35 -2.540 5.616 2.951 270 HG11 VAL 35 HG21 VAL 35 -3.646 4.796 0.246 271 HG12 VAL 35 HG22 VAL 35 -2.655 3.784 1.298 272 HG13 VAL 35 HG23 VAL 35 -1.972 5.241 0.578 273 HG21 VAL 35 HG13 VAL 35 -4.033 7.043 0.772 274 HG22 VAL 35 HG11 VAL 35 -2.711 7.626 1.783 275 HG23 VAL 35 HG12 VAL 35 -4.336 7.488 2.452 276 H PHE 36 H PHE 36 -5.368 2.824 1.682 277 HA PHE 36 HA PHE 36 -4.015 1.102 3.723 278 HB2 PHE 36 HB3 PHE 36 -6.545 0.631 2.122 279 HB3 PHE 36 HB2 PHE 36 -5.756 -0.610 3.097 280 HD1 PHE 36 HD2 PHE 36 -5.709 -0.462 5.540 281 HD2 PHE 36 HD1 PHE 36 -7.658 2.538 3.164 282 HE1 PHE 36 HE2 PHE 36 -6.838 0.410 7.569 283 HE2 PHE 36 HE1 PHE 36 -8.788 3.411 5.192 284 HZ PHE 36 HZ PHE 36 -8.377 2.347 7.394 285 H TYR 37 H TYR 37 -2.947 -0.794 2.931 286 HA TYR 37 HA TYR 37 -2.332 -0.674 0.005 287 HB2 TYR 37 HB3 TYR 37 -0.675 -1.478 2.397 288 HB3 TYR 37 HB2 TYR 37 -0.241 -1.996 0.768 289 HD1 TYR 37 HD2 TYR 37 -1.232 1.104 2.637 290 HD2 TYR 37 HD1 TYR 37 1.116 -0.608 -0.526 291 HE1 TYR 37 HE2 TYR 37 -0.201 3.318 2.206 292 HE2 TYR 37 HE1 TYR 37 2.147 1.606 -0.959 293 HH TYR 37 HH TYR 37 2.338 3.712 -0.262 294 H TYR 38 H TYR 38 -2.333 -2.645 -1.162 295 HA TYR 38 HA TYR 38 -3.470 -4.989 0.309 296 HB2 TYR 38 HB3 TYR 38 -4.166 -4.113 -2.512 297 HB3 TYR 38 HB2 TYR 38 -4.855 -5.485 -1.643 298 HD1 TYR 38 HD2 TYR 38 -6.157 -5.055 0.499 299 HD2 TYR 38 HD1 TYR 38 -5.021 -1.919 -2.208 300 HE1 TYR 38 HE2 TYR 38 -7.856 -3.562 1.515 301 HE2 TYR 38 HE1 TYR 38 -6.720 -0.425 -1.191 302 HH TYR 38 HH TYR 38 -8.524 -1.386 1.681 303 H SER 39 H SER 39 -2.533 -6.962 -0.186 304 HA SER 39 HA SER 39 -0.222 -6.873 -2.065 305 HB2 SER 39 HB3 SER 39 0.847 -8.181 -0.569 306 HB3 SER 39 HB2 SER 39 -0.511 -7.917 0.522 307 HG SER 39 HG SER 39 -0.606 -9.873 -1.511 308 HA PRO 40 HA PRO 40 -1.755 -9.673 -5.084 309 HB2 PRO 40 HB3 PRO 40 -0.012 -11.875 -4.076 310 HB3 PRO 40 HB2 PRO 40 -0.138 -11.190 -5.708 311 HG2 PRO 40 HG3 PRO 40 1.932 -10.643 -4.130 312 HG3 PRO 40 HG2 PRO 40 1.250 -9.428 -5.224 313 HD2 PRO 40 HD3 PRO 40 0.981 -9.653 -2.246 314 HD3 PRO 40 HD2 PRO 40 1.019 -8.199 -3.268 315 H SER 41 H SER 41 -1.439 -11.182 -1.880 316 HA SER 41 HA SER 41 -3.518 -13.165 -2.468 317 HB2 SER 41 HB3 SER 41 -2.432 -12.470 0.262 318 HB3 SER 41 HB2 SER 41 -3.114 -14.000 -0.280 319 HG SER 41 HG SER 41 -1.318 -14.299 -1.581 320 H GLY 42 H GLY 42 -3.609 -9.919 -1.855 321 HA2 GLY 42 HA2 GLY 42 -5.588 -8.620 -1.546 322 HA3 GLY 42 HA3 GLY 42 -6.432 -10.079 -1.024 323 H LYS 43 H LYS 43 -3.409 -9.739 0.480 324 HA LYS 43 HA LYS 43 -4.611 -9.383 3.082 325 HB2 LYS 43 HB3 LYS 43 -2.533 -10.633 2.858 326 HB3 LYS 43 HB2 LYS 43 -1.720 -9.223 2.177 327 HG2 LYS 43 HG3 LYS 43 -2.151 -7.991 4.302 328 HG3 LYS 43 HG2 LYS 43 -2.855 -9.461 4.980 329 HD2 LYS 43 HD3 LYS 43 -0.743 -10.648 4.715 330 HD3 LYS 43 HD2 LYS 43 -0.026 -9.253 3.909 331 HE2 LYS 43 HE3 LYS 43 -0.274 -7.910 5.938 332 HE3 LYS 43 HE2 LYS 43 -1.082 -9.251 6.751 333 HZ1 LYS 43 HZ1 LYS 43 1.720 -9.184 5.775 334 HZ2 LYS 43 HZ2 LYS 43 0.955 -10.575 6.382 335 HZ3 LYS 43 HZ3 LYS 43 1.204 -9.232 7.391 336 H LYS 44 H LYS 44 -5.396 -7.458 3.781 337 HA LYS 44 HA LYS 44 -4.246 -4.946 2.700 338 HB2 LYS 44 HB3 LYS 44 -6.180 -3.854 3.717 339 HB3 LYS 44 HB2 LYS 44 -6.723 -5.244 2.777 340 HG2 LYS 44 HG3 LYS 44 -6.732 -6.604 4.874 341 HG3 LYS 44 HG2 LYS 44 -6.326 -5.147 5.781 342 HD2 LYS 44 HD3 LYS 44 -8.387 -4.067 5.050 343 HD3 LYS 44 HD2 LYS 44 -8.780 -5.449 4.027 344 HE2 LYS 44 HE3 LYS 44 -9.958 -5.405 6.280 345 HE3 LYS 44 HE2 LYS 44 -9.069 -6.885 5.925 346 HZ1 LYS 44 HZ1 LYS 44 -7.926 -4.621 7.459 347 HZ2 LYS 44 HZ2 LYS 44 -7.273 -6.179 7.273 348 HZ3 LYS 44 HZ3 LYS 44 -8.688 -5.951 8.186 349 H PHE 45 H PHE 45 -2.935 -3.645 3.920 350 HA PHE 45 HA PHE 45 -2.854 -4.057 6.863 351 HB2 PHE 45 HB3 PHE 45 -0.295 -3.934 6.670 352 HB3 PHE 45 HB2 PHE 45 -1.049 -5.454 6.185 353 HD1 PHE 45 HD2 PHE 45 -1.451 -5.919 3.744 354 HD2 PHE 45 HD1 PHE 45 0.879 -2.574 5.097 355 HE1 PHE 45 HE2 PHE 45 -0.473 -5.682 1.476 356 HE2 PHE 45 HE1 PHE 45 1.857 -2.337 2.831 357 HZ PHE 45 HZ PHE 45 1.180 -3.892 1.020 358 H ARG 46 H ARG 46 -2.055 -2.195 8.002 359 HA ARG 46 HA ARG 46 -1.730 0.241 6.296 360 HB2 ARG 46 HB3 ARG 46 -3.950 0.130 7.477 361 HB3 ARG 46 HB2 ARG 46 -3.079 0.133 9.009 362 HG2 ARG 46 HG3 ARG 46 -3.643 2.411 8.615 363 HG3 ARG 46 HG2 ARG 46 -1.939 2.276 8.181 364 HD2 ARG 46 HD3 ARG 46 -2.393 2.325 5.873 365 HD3 ARG 46 HD2 ARG 46 -4.084 1.878 6.104 366 HE ARG 46 HE ARG 46 -4.581 4.158 6.477 367 HH11 ARG 46 HH21 ARG 46 -1.205 3.492 6.712 368 HH12 ARG 46 HH22 ARG 46 -0.749 5.159 6.823 369 HH21 ARG 46 HH11 ARG 46 -4.005 6.338 6.623 370 HH22 ARG 46 HH12 ARG 46 -2.334 6.771 6.774 371 H SER 47 H SER 47 0.595 -0.760 6.762 372 HA SER 47 HA SER 47 1.733 0.911 8.913 373 HB2 SER 47 HB3 SER 47 1.588 -0.984 10.256 374 HB3 SER 47 HB2 SER 47 1.758 -2.087 8.894 375 HG SER 47 HG SER 47 3.659 -0.935 10.479 376 H LYS 48 H LYS 48 3.514 1.889 8.079 377 HA LYS 48 HA LYS 48 4.498 1.263 5.458 378 HB2 LYS 48 HB3 LYS 48 4.941 3.468 6.006 379 HB3 LYS 48 HB2 LYS 48 5.337 3.080 7.682 380 HG2 LYS 48 HG3 LYS 48 7.497 2.310 7.119 381 HG3 LYS 48 HG2 LYS 48 7.085 2.138 5.412 382 HD2 LYS 48 HD3 LYS 48 7.029 4.513 5.093 383 HD3 LYS 48 HD2 LYS 48 7.104 4.811 6.832 384 HE2 LYS 48 HE3 LYS 48 9.363 4.223 6.971 385 HE3 LYS 48 HE2 LYS 48 9.306 3.266 5.490 386 HZ1 LYS 48 HZ1 LYS 48 9.670 6.124 5.838 387 HZ2 LYS 48 HZ2 LYS 48 8.653 5.667 4.556 388 HZ3 LYS 48 HZ3 LYS 48 10.251 5.095 4.622 389 HA PRO 49 HA PRO 49 8.337 -0.533 7.954 390 HB2 PRO 49 HB3 PRO 49 7.507 -1.502 10.431 391 HB3 PRO 49 HB2 PRO 49 8.372 0.023 10.165 392 HG2 PRO 49 HG3 PRO 49 5.456 -0.462 10.526 393 HG3 PRO 49 HG2 PRO 49 6.470 0.845 11.157 394 HD2 PRO 49 HD3 PRO 49 4.852 1.272 9.037 395 HD3 PRO 49 HD2 PRO 49 6.467 2.009 9.107 396 H GLN 50 H GLN 50 5.081 -1.838 8.596 397 HA GLN 50 HA GLN 50 5.839 -4.604 8.508 398 HB2 GLN 50 HB3 GLN 50 3.651 -3.687 9.387 399 HB3 GLN 50 HB2 GLN 50 3.159 -3.438 7.711 400 HG2 GLN 50 HG2 GLN 50 3.498 -5.846 7.258 401 HG3 GLN 50 HG3 GLN 50 3.960 -6.092 8.944 402 HE21 GLN 50 HE21 GLN 50 2.269 -6.653 10.321 403 HE22 GLN 50 HE22 GLN 50 0.625 -6.364 10.012 404 H LEU 51 H LEU 51 4.916 -2.277 6.008 405 HA LEU 51 HA LEU 51 4.705 -4.202 3.874 406 HB2 LEU 51 HB2 LEU 51 3.906 -1.720 3.962 407 HB3 LEU 51 HB3 LEU 51 5.553 -1.342 3.453 408 HG LEU 51 HG LEU 51 3.751 -3.302 2.007 409 HD11 LEU 51 HD11 LEU 51 3.211 -0.683 2.093 410 HD12 LEU 51 HD12 LEU 51 3.031 -1.615 0.606 411 HD13 LEU 51 HD13 LEU 51 4.477 -0.640 0.866 412 HD21 LEU 51 HD21 LEU 51 6.537 -2.295 1.685 413 HD22 LEU 51 HD22 LEU 51 5.590 -2.491 0.211 414 HD23 LEU 51 HD23 LEU 51 5.858 -3.871 1.277 415 H ALA 52 H ALA 52 7.368 -2.153 5.055 416 HA ALA 52 HA ALA 52 9.257 -2.880 3.037 417 HB1 ALA 52 HB1 ALA 52 9.566 -1.927 5.889 418 HB2 ALA 52 HB2 ALA 52 9.802 -1.007 4.404 419 HB3 ALA 52 HB3 ALA 52 10.958 -2.260 4.858 420 H ARG 53 H ARG 53 8.488 -4.337 6.192 421 HA ARG 53 HA ARG 53 10.546 -6.297 6.210 422 HB2 ARG 53 HB3 ARG 53 9.064 -5.792 8.150 423 HB3 ARG 53 HB2 ARG 53 7.727 -6.569 7.301 424 HG2 ARG 53 HG3 ARG 53 8.996 -8.682 7.222 425 HG3 ARG 53 HG2 ARG 53 10.338 -7.909 8.067 426 HD2 ARG 53 HD3 ARG 53 8.956 -9.169 9.657 427 HD3 ARG 53 HD2 ARG 53 8.838 -7.441 9.988 428 HE ARG 53 HE ARG 53 6.572 -7.490 9.250 429 HH11 ARG 53 HH21 ARG 53 8.279 -10.426 8.657 430 HH12 ARG 53 HH22 ARG 53 6.854 -11.328 8.256 431 HH21 ARG 53 HH11 ARG 53 4.703 -8.649 8.729 432 HH22 ARG 53 HH12 ARG 53 4.831 -10.322 8.297 433 H TYR 54 H TYR 54 7.197 -6.516 4.968 434 HA TYR 54 HA TYR 54 7.455 -9.181 3.958 435 HB2 TYR 54 HB3 TYR 54 5.320 -7.739 4.274 436 HB3 TYR 54 HB2 TYR 54 5.703 -7.086 2.682 437 HD1 TYR 54 HD1 TYR 54 6.242 -8.864 0.816 438 HD2 TYR 54 HD2 TYR 54 4.071 -9.711 4.423 439 HE1 TYR 54 HE1 TYR 54 5.255 -10.873 -0.251 440 HE2 TYR 54 HE2 TYR 54 3.082 -11.720 3.357 441 HH TYR 54 HH TYR 54 2.777 -12.795 1.395 442 H LEU 55 H LEU 55 7.799 -6.019 2.322 443 HA LEU 55 HA LEU 55 8.767 -7.307 -0.126 444 HB2 LEU 55 HB2 LEU 55 8.135 -4.543 0.763 445 HB3 LEU 55 HB3 LEU 55 9.377 -4.693 -0.480 446 HG LEU 55 HG LEU 55 6.990 -4.478 -1.343 447 HD11 LEU 55 HD11 LEU 55 9.108 -6.299 -2.109 448 HD12 LEU 55 HD12 LEU 55 8.033 -5.353 -3.138 449 HD13 LEU 55 HD13 LEU 55 7.536 -6.948 -2.576 450 HD21 LEU 55 HD21 LEU 55 6.362 -6.272 0.571 451 HD22 LEU 55 HD22 LEU 55 6.623 -7.378 -0.778 452 HD23 LEU 55 HD23 LEU 55 5.418 -6.098 -0.907 453 H GLY 56 H GLY 56 10.157 -6.787 2.822 454 HA2 GLY 56 HA2 GLY 56 12.693 -5.640 2.191 455 HA3 GLY 56 HA3 GLY 56 12.383 -6.712 3.558 456 H GLY 57 H GLY 57 11.457 -8.944 1.933 457 HA2 GLY 57 HA2 GLY 57 14.114 -9.962 1.147 458 HA3 GLY 57 HA3 GLY 57 12.642 -10.924 1.307 459 H SER 58 H SER 58 11.670 -8.303 -0.379 460 HA SER 58 HA SER 58 12.196 -9.666 -2.988 461 HB2 SER 58 HB3 SER 58 9.924 -9.676 -3.058 462 HB3 SER 58 HB2 SER 58 9.793 -8.474 -1.776 463 HG SER 58 HG SER 58 9.498 -8.132 -4.381 464 H MET 59 H MET 59 12.250 -6.608 -1.256 465 HA MET 59 HA MET 59 14.198 -5.478 -3.034 466 HB2 MET 59 HB3 MET 59 12.161 -5.340 -4.499 467 HB3 MET 59 HB2 MET 59 11.415 -4.299 -3.286 468 HG2 MET 59 HG3 MET 59 13.014 -2.580 -3.612 469 HG3 MET 59 HG2 MET 59 14.119 -3.658 -4.465 470 HE1 MET 59 HE1 MET 59 10.258 -1.720 -5.868 471 HE2 MET 59 HE2 MET 59 11.566 -0.796 -5.132 472 HE3 MET 59 HE3 MET 59 10.799 -2.099 -4.227 473 H ASP 60 H ASP 60 14.571 -3.105 -2.459 474 HA ASP 60 HA ASP 60 14.142 -2.790 0.453 475 HB2 ASP 60 HB2 ASP 60 15.893 -1.339 -1.548 476 HB3 ASP 60 HB3 ASP 60 15.751 -0.850 0.141 477 H LEU 61 H LEU 61 12.310 -1.728 1.036 478 HA LEU 61 HA LEU 61 11.359 0.488 -0.732 479 HB2 LEU 61 HB2 LEU 61 9.937 -1.490 1.024 480 HB3 LEU 61 HB3 LEU 61 9.192 0.077 0.709 481 HG LEU 61 HG LEU 61 9.459 -0.329 -1.738 482 HD11 LEU 61 HD11 LEU 61 10.692 -2.847 -0.670 483 HD12 LEU 61 HD12 LEU 61 11.217 -1.831 -2.012 484 HD13 LEU 61 HD13 LEU 61 9.829 -2.903 -2.206 485 HD21 LEU 61 HD21 LEU 61 7.951 -2.422 -0.140 486 HD22 LEU 61 HD22 LEU 61 7.720 -2.146 -1.866 487 HD23 LEU 61 HD23 LEU 61 7.327 -0.874 -0.709 488 H SER 62 H SER 62 13.236 0.177 1.842 489 HA SER 62 HA SER 62 12.091 1.677 3.947 490 HB2 SER 62 HB3 SER 62 14.404 2.215 4.592 491 HB3 SER 62 HB2 SER 62 14.279 0.528 4.106 492 HG SER 62 HG SER 62 14.786 2.241 2.031 493 H THR 63 H THR 63 13.552 2.746 0.911 494 HA THR 63 HA THR 63 13.241 5.582 1.699 495 HB THR 63 HB THR 63 14.163 5.934 -0.678 496 HG1 THR 63 HG1 THR 63 14.591 3.150 -0.351 497 HG21 THR 63 HG21 THR 63 15.906 4.301 1.178 498 HG22 THR 63 HG22 THR 63 15.480 5.983 1.489 499 HG23 THR 63 HG23 THR 63 16.417 5.561 0.055 500 H PHE 64 H PHE 64 10.926 3.680 1.218 501 HA PHE 64 HA PHE 64 9.685 4.838 -1.205 502 HB2 PHE 64 HB3 PHE 64 9.383 2.433 -0.768 503 HB3 PHE 64 HB2 PHE 64 8.642 2.803 0.790 504 HD1 PHE 64 HD1 PHE 64 8.293 3.615 -2.855 505 HD2 PHE 64 HD2 PHE 64 6.323 3.057 0.919 506 HE1 PHE 64 HE1 PHE 64 6.093 3.889 -3.964 507 HE2 PHE 64 HE2 PHE 64 4.121 3.330 -0.189 508 HZ PHE 64 HZ PHE 64 4.006 3.746 -2.632 509 H ASP 65 H ASP 65 8.379 6.600 -1.088 510 HA ASP 65 HA ASP 65 7.807 7.831 1.487 511 HB2 ASP 65 HB2 ASP 65 6.963 8.500 -1.345 512 HB3 ASP 65 HB3 ASP 65 6.517 9.474 0.055 513 H PHE 66 H PHE 66 6.228 6.984 2.763 514 HA PHE 66 HA PHE 66 4.052 5.393 1.679 515 HB2 PHE 66 HB3 PHE 66 5.024 5.021 3.949 516 HB3 PHE 66 HB2 PHE 66 4.359 6.574 4.458 517 HD1 PHE 66 HD1 PHE 66 3.539 3.130 3.404 518 HD2 PHE 66 HD2 PHE 66 1.975 6.879 4.802 519 HE1 PHE 66 HE1 PHE 66 1.356 2.047 3.867 520 HE2 PHE 66 HE2 PHE 66 -0.208 5.796 5.264 521 HZ PHE 66 HZ PHE 66 -0.517 3.380 4.796 522 H ARG 67 H ARG 67 4.296 8.659 3.098 523 HA ARG 67 HA ARG 67 1.504 9.264 2.921 524 HB2 ARG 67 HB3 ARG 67 3.833 11.201 2.750 525 HB3 ARG 67 HB2 ARG 67 2.175 11.588 3.215 526 HG2 ARG 67 HG3 ARG 67 3.841 9.556 4.711 527 HG3 ARG 67 HG2 ARG 67 3.828 11.268 5.139 528 HD2 ARG 67 HD3 ARG 67 1.457 9.382 5.100 529 HD3 ARG 67 HD2 ARG 67 2.178 10.149 6.512 530 HE ARG 67 HE ARG 67 1.423 12.252 4.819 531 HH11 ARG 67 HH21 ARG 67 -0.025 9.566 6.424 532 HH12 ARG 67 HH22 ARG 67 -1.560 10.342 6.622 533 HH21 ARG 67 HH11 ARG 67 -0.575 13.280 5.068 534 HH22 ARG 67 HH12 ARG 67 -1.873 12.444 5.853 535 H THR 68 H THR 68 4.180 9.648 0.625 536 HA THR 68 HA THR 68 2.284 10.784 -1.365 537 HB THR 68 HB THR 68 4.164 11.556 -2.555 538 HG1 THR 68 HG1 THR 68 6.281 10.687 -2.006 539 HG21 THR 68 HG21 THR 68 5.290 11.525 0.242 540 HG22 THR 68 HG22 THR 68 3.867 12.484 -0.165 541 HG23 THR 68 HG23 THR 68 5.404 12.799 -0.972 542 H GLY 69 H GLY 69 3.772 7.831 -0.481 543 HA2 GLY 69 HA2 GLY 69 3.719 5.712 -1.488 544 HA3 GLY 69 HA3 GLY 69 2.431 6.341 -2.517 545 H LYS 70 H LYS 70 5.758 7.557 -2.279 546 HA LYS 70 HA LYS 70 6.229 6.595 -5.065 547 HB2 LYS 70 HB3 LYS 70 6.787 9.379 -3.993 548 HB3 LYS 70 HB2 LYS 70 7.302 8.784 -5.573 549 HG2 LYS 70 HG3 LYS 70 4.404 8.689 -4.731 550 HG3 LYS 70 HG2 LYS 70 5.097 10.131 -5.476 551 HD2 LYS 70 HD3 LYS 70 5.856 8.728 -7.396 552 HD3 LYS 70 HD2 LYS 70 5.039 7.344 -6.669 553 HE2 LYS 70 HE3 LYS 70 2.890 8.525 -6.784 554 HE3 LYS 70 HE2 LYS 70 3.690 9.941 -7.464 555 HZ1 LYS 70 HZ1 LYS 70 3.452 7.249 -8.687 556 HZ2 LYS 70 HZ2 LYS 70 4.458 8.474 -9.302 557 HZ3 LYS 70 HZ3 LYS 70 2.774 8.700 -9.249 558 H MET 71 H MET 71 8.467 6.229 -5.558 559 HA MET 71 HA MET 71 10.122 5.786 -3.133 560 HB2 MET 71 HB3 MET 71 9.786 3.945 -4.818 561 HB3 MET 71 HB2 MET 71 10.669 4.927 -5.987 562 HG2 MET 71 HG3 MET 71 12.667 4.866 -4.661 563 HG3 MET 71 HG2 MET 71 11.808 4.168 -3.289 564 HE1 MET 71 HE1 MET 71 12.389 0.636 -3.555 565 HE2 MET 71 HE2 MET 71 11.052 1.682 -3.082 566 HE3 MET 71 HE3 MET 71 12.705 2.146 -2.689 567 H LEU 72 H LEU 72 11.714 7.211 -2.634 568 HA LEU 72 HA LEU 72 13.359 8.469 -4.663 569 HB2 LEU 72 HB2 LEU 72 11.349 9.888 -4.859 570 HB3 LEU 72 HB3 LEU 72 11.414 10.218 -3.128 571 HG LEU 72 HG LEU 72 13.636 11.249 -3.397 572 HD11 LEU 72 HD11 LEU 72 14.148 11.738 -5.960 573 HD12 LEU 72 HD12 LEU 72 13.250 10.238 -6.188 574 HD13 LEU 72 HD13 LEU 72 14.706 10.251 -5.193 575 HD21 LEU 72 HD21 LEU 72 11.892 12.837 -3.542 576 HD22 LEU 72 HD22 LEU 72 11.356 12.236 -5.110 577 HD23 LEU 72 HD23 LEU 72 12.857 13.152 -4.984 Start of MODEL 8 1 H1 GLY 1 H1 GLY 1 -22.285 11.972 -0.129 2 H2 GLY 1 H2 GLY 1 -21.183 12.234 -1.395 3 H3 GLY 1 H3 GLY 1 -20.695 11.391 -0.002 4 HA2 GLY 1 HA2 GLY 1 -21.901 9.439 -0.465 5 HA3 GLY 1 HA3 GLY 1 -22.781 10.335 -1.739 6 H SER 2 H SER 2 -22.187 8.086 -2.580 7 HA SER 2 HA SER 2 -21.247 7.264 -4.590 8 HB2 SER 2 HB3 SER 2 -23.194 9.015 -5.115 9 HB3 SER 2 HB2 SER 2 -21.860 9.914 -5.831 10 HG SER 2 HG SER 2 -23.042 7.530 -6.601 11 H MET 3 H MET 3 -19.319 8.591 -2.855 12 HA MET 3 HA MET 3 -17.638 10.251 -4.594 13 HB2 MET 3 HB3 MET 3 -17.194 9.072 -1.836 14 HB3 MET 3 HB2 MET 3 -16.031 10.110 -2.660 15 HG2 MET 3 HG3 MET 3 -17.747 11.890 -2.816 16 HG3 MET 3 HG2 MET 3 -18.884 10.857 -1.951 17 HE1 MET 3 HE1 MET 3 -18.691 13.428 -1.039 18 HE2 MET 3 HE2 MET 3 -18.040 13.608 0.589 19 HE3 MET 3 HE3 MET 3 -19.295 12.411 0.277 20 H GLU 4 H GLU 4 -15.747 9.574 -5.625 21 HA GLU 4 HA GLU 4 -15.424 6.634 -5.869 22 HB2 GLU 4 HB3 GLU 4 -15.598 7.996 -7.939 23 HB3 GLU 4 HB2 GLU 4 -14.146 8.879 -7.462 24 HG2 GLU 4 HG2 GLU 4 -12.849 6.788 -7.488 25 HG3 GLU 4 HG3 GLU 4 -14.299 5.886 -7.935 26 H ARG 5 H ARG 5 -13.763 5.609 -4.855 27 HA ARG 5 HA ARG 5 -11.897 7.127 -3.219 28 HB2 ARG 5 HB3 ARG 5 -11.964 4.171 -3.908 29 HB3 ARG 5 HB2 ARG 5 -10.967 4.905 -2.650 30 HG2 ARG 5 HG3 ARG 5 -12.963 5.660 -1.460 31 HG3 ARG 5 HG2 ARG 5 -13.995 5.032 -2.744 32 HD2 ARG 5 HD3 ARG 5 -12.100 3.327 -1.106 33 HD3 ARG 5 HD2 ARG 5 -13.822 3.495 -0.768 34 HE ARG 5 HE ARG 5 -13.568 2.727 -3.483 35 HH11 ARG 5 HH21 ARG 5 -12.911 1.571 -0.302 36 HH12 ARG 5 HH22 ARG 5 -13.117 -0.097 -0.721 37 HH21 ARG 5 HH11 ARG 5 -13.840 0.556 -4.049 38 HH22 ARG 5 HH12 ARG 5 -13.643 -0.671 -2.844 39 H LYS 6 H LYS 6 -9.687 7.450 -3.598 40 HA LYS 6 HA LYS 6 -8.845 7.502 -6.368 41 HB2 LYS 6 HB3 LYS 6 -7.363 7.976 -3.769 42 HB3 LYS 6 HB2 LYS 6 -6.621 8.174 -5.357 43 HG2 LYS 6 HG3 LYS 6 -7.381 10.315 -5.170 44 HG3 LYS 6 HG2 LYS 6 -8.912 9.611 -5.692 45 HD2 LYS 6 HD3 LYS 6 -9.593 10.702 -3.760 46 HD3 LYS 6 HD2 LYS 6 -9.191 9.114 -3.104 47 HE2 LYS 6 HE3 LYS 6 -7.902 10.323 -1.659 48 HE3 LYS 6 HE2 LYS 6 -6.754 10.319 -2.999 49 HZ1 LYS 6 HZ1 LYS 6 -8.203 12.496 -1.874 50 HZ2 LYS 6 HZ2 LYS 6 -8.482 12.375 -3.546 51 HZ3 LYS 6 HZ3 LYS 6 -6.896 12.519 -2.955 52 H ARG 7 H ARG 7 -7.043 6.290 -7.269 53 HA ARG 7 HA ARG 7 -6.102 3.923 -5.790 54 HB2 ARG 7 HB3 ARG 7 -8.274 3.213 -6.798 55 HB3 ARG 7 HB2 ARG 7 -7.633 3.618 -8.391 56 HG2 ARG 7 HG3 ARG 7 -5.817 1.988 -8.093 57 HG3 ARG 7 HG2 ARG 7 -6.422 1.596 -6.483 58 HD2 ARG 7 HD3 ARG 7 -7.227 -0.082 -8.053 59 HD3 ARG 7 HD2 ARG 7 -8.591 0.903 -7.522 60 HE ARG 7 HE ARG 7 -7.455 2.005 -9.923 61 HH11 ARG 7 HH21 ARG 7 -9.336 -0.595 -8.660 62 HH12 ARG 7 HH22 ARG 7 -10.223 -0.840 -10.127 63 HH21 ARG 7 HH11 ARG 7 -8.603 1.698 -11.846 64 HH22 ARG 7 HH12 ARG 7 -9.809 0.458 -11.931 65 H TRP 8 H TRP 8 -4.149 3.135 -6.647 66 HA TRP 8 HA TRP 8 -3.186 3.922 -9.271 67 HB2 TRP 8 HB3 TRP 8 -1.151 5.096 -7.865 68 HB3 TRP 8 HB2 TRP 8 -2.472 5.986 -8.622 69 HD1 TRP 8 HD1 TRP 8 -2.602 3.860 -5.406 70 HE1 TRP 8 HE1 TRP 8 -3.432 5.360 -3.480 71 HE3 TRP 8 HE3 TRP 8 -2.876 8.344 -7.835 72 HZ2 TRP 8 HZ2 TRP 8 -4.121 8.100 -3.029 73 HZ3 TRP 8 HZ3 TRP 8 -3.621 10.379 -6.635 74 HH2 TRP 8 HH2 TRP 8 -4.244 10.265 -4.239 75 H GLU 9 H GLU 9 -1.497 2.578 -9.871 76 HA GLU 9 HA GLU 9 -0.498 0.715 -7.764 77 HB2 GLU 9 HB3 GLU 9 -1.649 -0.310 -9.718 78 HB3 GLU 9 HB2 GLU 9 -0.442 0.413 -10.782 79 HG2 GLU 9 HG2 GLU 9 1.340 -0.834 -9.662 80 HG3 GLU 9 HG3 GLU 9 0.177 -1.508 -8.520 81 H CYS 10 H CYS 10 1.514 1.181 -7.033 82 HA CYS 10 HA CYS 10 3.293 2.874 -8.688 83 HB2 CYS 10 HB3 CYS 10 4.714 2.876 -6.603 84 HB3 CYS 10 HB2 CYS 10 3.093 3.532 -6.368 85 HG CYS 10 HG CYS 10 3.910 0.641 -5.483 86 HA PRO 11 HA PRO 11 5.580 -0.661 -10.078 87 HB2 PRO 11 HB3 PRO 11 7.830 0.661 -10.908 88 HB3 PRO 11 HB2 PRO 11 6.308 0.655 -11.819 89 HG2 PRO 11 HG3 PRO 11 7.435 2.748 -10.030 90 HG3 PRO 11 HG2 PRO 11 6.566 2.921 -11.563 91 HD2 PRO 11 HD3 PRO 11 5.377 3.315 -9.128 92 HD3 PRO 11 HD2 PRO 11 4.480 2.746 -10.552 93 H ALA 12 H ALA 12 6.655 1.440 -7.549 94 HA ALA 12 HA ALA 12 9.183 0.288 -6.935 95 HB1 ALA 12 HB1 ALA 12 7.315 1.182 -4.759 96 HB2 ALA 12 HB2 ALA 12 7.933 2.365 -5.912 97 HB3 ALA 12 HB3 ALA 12 9.052 1.442 -4.910 98 H LEU 13 H LEU 13 5.899 -0.775 -6.240 99 HA LEU 13 HA LEU 13 6.930 -3.007 -4.580 100 HB2 LEU 13 HB2 LEU 13 4.162 -1.960 -5.195 101 HB3 LEU 13 HB3 LEU 13 4.412 -3.514 -4.398 102 HG LEU 13 HG LEU 13 4.080 -1.612 -2.793 103 HD11 LEU 13 HD11 LEU 13 5.653 -3.751 -2.526 104 HD12 LEU 13 HD12 LEU 13 5.583 -2.506 -1.279 105 HD13 LEU 13 HD13 LEU 13 6.909 -2.516 -2.442 106 HD21 LEU 13 HD21 LEU 13 5.424 -0.040 -4.376 107 HD22 LEU 13 HD22 LEU 13 6.848 -0.715 -3.586 108 HD23 LEU 13 HD23 LEU 13 5.640 0.149 -2.636 109 HA PRO 14 HA PRO 14 6.937 -6.060 -7.743 110 HB2 PRO 14 HB3 PRO 14 5.270 -7.750 -5.945 111 HB3 PRO 14 HB2 PRO 14 6.847 -8.095 -6.678 112 HG2 PRO 14 HG3 PRO 14 6.623 -7.519 -4.093 113 HG3 PRO 14 HG2 PRO 14 8.006 -6.964 -5.052 114 HD2 PRO 14 HD3 PRO 14 5.650 -5.388 -4.075 115 HD3 PRO 14 HD2 PRO 14 7.343 -4.893 -4.290 116 H GLN 15 H GLN 15 5.628 -6.724 -9.468 117 HA GLN 15 HA GLN 15 3.187 -5.476 -9.997 118 HB2 GLN 15 HB3 GLN 15 2.795 -7.504 -11.563 119 HB3 GLN 15 HB2 GLN 15 4.237 -6.526 -11.836 120 HG2 GLN 15 HG2 GLN 15 5.607 -8.116 -10.600 121 HG3 GLN 15 HG3 GLN 15 4.180 -9.062 -10.176 122 HE21 GLN 15 HE21 GLN 15 6.619 -9.784 -11.883 123 HE22 GLN 15 HE22 GLN 15 5.960 -10.328 -13.349 124 H GLY 16 H GLY 16 1.137 -5.759 -9.241 125 HA2 GLY 16 HA2 GLY 16 -0.664 -7.431 -8.711 126 HA3 GLY 16 HA3 GLY 16 0.550 -8.298 -7.767 127 H TRP 17 H TRP 17 1.588 -5.513 -6.925 128 HA TRP 17 HA TRP 17 -0.118 -5.340 -4.535 129 HB2 TRP 17 HB3 TRP 17 2.444 -3.978 -5.387 130 HB3 TRP 17 HB2 TRP 17 1.581 -3.521 -3.919 131 HD1 TRP 17 HD1 TRP 17 2.637 -6.899 -5.508 132 HE1 TRP 17 HE1 TRP 17 3.624 -8.380 -3.644 133 HE3 TRP 17 HE3 TRP 17 2.169 -3.734 -1.529 134 HZ2 TRP 17 HZ2 TRP 17 4.148 -8.241 -0.835 135 HZ3 TRP 17 HZ3 TRP 17 2.920 -4.433 0.728 136 HH2 TRP 17 HH2 TRP 17 3.907 -6.678 1.079 137 H GLU 18 H GLU 18 -1.410 -3.554 -3.999 138 HA GLU 18 HA GLU 18 -1.531 -1.296 -5.919 139 HB2 GLU 18 HB3 GLU 18 -3.879 -3.070 -5.190 140 HB3 GLU 18 HB2 GLU 18 -4.041 -1.501 -5.979 141 HG2 GLU 18 HG2 GLU 18 -2.643 -2.287 -7.850 142 HG3 GLU 18 HG3 GLU 18 -2.471 -3.858 -7.065 143 H ARG 19 H ARG 19 -2.661 0.572 -5.004 144 HA ARG 19 HA ARG 19 -3.355 0.408 -2.130 145 HB2 ARG 19 HB3 ARG 19 -1.834 2.131 -1.454 146 HB3 ARG 19 HB2 ARG 19 -0.876 0.963 -2.365 147 HG2 ARG 19 HG3 ARG 19 -1.254 2.397 -4.418 148 HG3 ARG 19 HG2 ARG 19 -1.960 3.613 -3.353 149 HD2 ARG 19 HD3 ARG 19 0.152 3.653 -2.039 150 HD3 ARG 19 HD2 ARG 19 0.856 2.499 -3.173 151 HE ARG 19 HE ARG 19 0.511 5.345 -3.641 152 HH11 ARG 19 HH21 ARG 19 0.576 2.197 -5.046 153 HH12 ARG 19 HH22 ARG 19 1.066 2.759 -6.609 154 HH21 ARG 19 HH11 ARG 19 1.153 6.098 -5.674 155 HH22 ARG 19 HH12 ARG 19 1.393 4.968 -6.964 156 H GLU 20 H GLU 20 -4.662 2.217 -1.444 157 HA GLU 20 HA GLU 20 -5.420 4.209 -3.487 158 HB2 GLU 20 HB3 GLU 20 -7.915 3.545 -2.841 159 HB3 GLU 20 HB2 GLU 20 -7.070 2.725 -4.155 160 HG2 GLU 20 HG2 GLU 20 -8.162 1.118 -2.602 161 HG3 GLU 20 HG3 GLU 20 -6.411 0.915 -2.643 162 H GLU 21 H GLU 21 -6.490 6.035 -2.553 163 HA GLU 21 HA GLU 21 -6.141 6.219 0.390 164 HB2 GLU 21 HB3 GLU 21 -5.136 7.993 -1.002 165 HB3 GLU 21 HB2 GLU 21 -6.725 8.371 -1.668 166 HG2 GLU 21 HG2 GLU 21 -7.547 8.951 0.575 167 HG3 GLU 21 HG3 GLU 21 -5.975 8.544 1.265 168 H VAL 22 H VAL 22 -7.881 6.793 1.761 169 HA VAL 22 HA VAL 22 -10.573 7.028 0.533 170 HB VAL 22 HB VAL 22 -10.127 5.088 2.798 171 HG11 VAL 22 HG21 VAL 22 -12.285 4.319 2.252 172 HG12 VAL 22 HG22 VAL 22 -12.221 5.013 0.631 173 HG13 VAL 22 HG23 VAL 22 -12.413 6.065 2.034 174 HG21 VAL 22 HG13 VAL 22 -9.918 4.583 -0.183 175 HG22 VAL 22 HG11 VAL 22 -10.198 3.302 0.996 176 HG23 VAL 22 HG12 VAL 22 -8.705 4.238 1.048 177 HA PRO 23 HA PRO 23 -10.589 10.002 3.878 178 HB2 PRO 23 HB3 PRO 23 -12.972 11.151 3.245 179 HB3 PRO 23 HB2 PRO 23 -11.484 11.470 2.334 180 HG2 PRO 23 HG3 PRO 23 -13.774 9.701 1.658 181 HG3 PRO 23 HG2 PRO 23 -12.788 10.728 0.605 182 HD2 PRO 23 HD3 PRO 23 -12.439 7.988 0.839 183 HD3 PRO 23 HD2 PRO 23 -11.160 9.108 0.322 184 H ARG 24 H ARG 24 -11.395 9.863 5.957 185 HA ARG 24 HA ARG 24 -13.065 7.661 6.715 186 HB2 ARG 24 HB3 ARG 24 -12.233 10.172 8.193 187 HB3 ARG 24 HB2 ARG 24 -13.157 8.870 8.944 188 HG2 ARG 24 HG3 ARG 24 -11.361 7.269 8.381 189 HG3 ARG 24 HG2 ARG 24 -10.434 8.575 7.639 190 HD2 ARG 24 HD3 ARG 24 -10.394 9.765 9.814 191 HD3 ARG 24 HD2 ARG 24 -11.276 8.426 10.549 192 HE ARG 24 HE ARG 24 -8.437 8.421 9.811 193 HH11 ARG 24 HH21 ARG 24 -11.300 6.627 10.498 194 HH12 ARG 24 HH22 ARG 24 -10.449 5.191 10.961 195 HH21 ARG 24 HH11 ARG 24 -7.309 6.558 10.413 196 HH22 ARG 24 HH12 ARG 24 -8.189 5.151 10.915 197 H ARG 25 H ARG 25 -15.260 7.663 7.403 198 HA ARG 25 HA ARG 25 -16.816 10.121 6.722 199 HB2 ARG 25 HB3 ARG 25 -17.464 7.263 5.940 200 HB3 ARG 25 HB2 ARG 25 -18.578 8.618 5.764 201 HG2 ARG 25 HG3 ARG 25 -16.970 9.764 4.293 202 HG3 ARG 25 HG2 ARG 25 -15.836 8.424 4.480 203 HD2 ARG 25 HD3 ARG 25 -18.636 8.146 3.351 204 HD3 ARG 25 HD2 ARG 25 -17.178 8.286 2.370 205 HE ARG 25 HE ARG 25 -17.995 5.926 3.922 206 HH11 ARG 25 HH21 ARG 25 -15.526 7.682 2.275 207 HH12 ARG 25 HH22 ARG 25 -14.530 6.292 2.008 208 HH21 ARG 25 HH11 ARG 25 -16.708 4.099 3.581 209 HH22 ARG 25 HH12 ARG 25 -15.198 4.264 2.748 210 H SER 26 H SER 26 -16.454 7.221 8.656 211 HA SER 26 HA SER 26 -18.422 8.362 10.578 212 HB2 SER 26 HB3 SER 26 -19.583 6.589 9.311 213 HB3 SER 26 HB2 SER 26 -18.301 5.454 9.723 214 HG SER 26 HG SER 26 -19.786 6.886 11.664 215 H GLY 27 H GLY 27 -16.808 8.953 12.048 216 HA2 GLY 27 HA2 GLY 27 -15.827 7.018 13.861 217 HA3 GLY 27 HA3 GLY 27 -14.535 7.342 12.703 218 H LEU 28 H LEU 28 -14.173 8.009 15.379 219 HA LEU 28 HA LEU 28 -14.913 10.727 15.981 220 HB2 LEU 28 HB2 LEU 28 -12.648 10.335 17.450 221 HB3 LEU 28 HB3 LEU 28 -14.244 9.765 17.939 222 HG LEU 28 HG LEU 28 -12.564 8.057 16.129 223 HD11 LEU 28 HD11 LEU 28 -12.184 8.528 19.079 224 HD12 LEU 28 HD12 LEU 28 -10.962 8.375 17.817 225 HD13 LEU 28 HD13 LEU 28 -11.835 6.948 18.378 226 HD21 LEU 28 HD21 LEU 28 -15.062 7.729 16.948 227 HD22 LEU 28 HD22 LEU 28 -14.279 7.130 18.409 228 HD23 LEU 28 HD23 LEU 28 -13.967 6.349 16.860 229 H SER 29 H SER 29 -11.945 9.267 14.640 230 HA SER 29 HA SER 29 -10.586 11.807 14.350 231 HB2 SER 29 HB3 SER 29 -10.023 9.314 12.738 232 HB3 SER 29 HB2 SER 29 -8.896 10.586 13.203 233 HG SER 29 HG SER 29 -8.572 8.943 14.626 234 H ALA 30 H ALA 30 -13.317 10.786 12.889 235 HA ALA 30 HA ALA 30 -13.248 10.948 10.183 236 HB1 ALA 30 HB1 ALA 30 -15.026 12.505 12.068 237 HB2 ALA 30 HB2 ALA 30 -15.392 11.001 11.225 238 HB3 ALA 30 HB3 ALA 30 -15.274 12.511 10.322 239 H GLY 31 H GLY 31 -13.113 12.640 8.582 240 HA2 GLY 31 HA2 GLY 31 -12.675 14.958 7.953 241 HA3 GLY 31 HA3 GLY 31 -11.929 15.206 9.534 242 H HIS 32 H HIS 32 -10.341 12.791 9.507 243 HA HIS 32 HA HIS 32 -8.168 13.744 7.760 244 HB2 HIS 32 HB2 HIS 32 -8.273 11.477 9.774 245 HB3 HIS 32 HB3 HIS 32 -6.822 12.012 8.929 246 HD1 HIS 32 HD1 HIS 32 -8.208 12.370 12.099 247 HD2 HIS 32 HD2 HIS 32 -6.791 15.167 9.348 248 HE1 HIS 32 HE1 HIS 32 -7.688 14.473 13.416 249 HE2 HIS 32 HE2 HIS 32 -6.825 16.180 11.752 250 H ARG 33 H ARG 33 -6.914 11.998 6.523 251 HA ARG 33 HA ARG 33 -8.852 10.079 5.285 252 HB2 ARG 33 HB3 ARG 33 -7.260 10.365 3.241 253 HB3 ARG 33 HB2 ARG 33 -8.425 11.645 3.581 254 HG2 ARG 33 HG3 ARG 33 -5.800 11.864 4.955 255 HG3 ARG 33 HG2 ARG 33 -5.792 12.128 3.211 256 HD2 ARG 33 HD3 ARG 33 -7.645 13.533 5.157 257 HD3 ARG 33 HD2 ARG 33 -6.171 14.235 4.489 258 HE ARG 33 HE ARG 33 -7.790 13.345 2.321 259 HH11 ARG 33 HH21 ARG 33 -7.715 15.654 4.881 260 HH12 ARG 33 HH22 ARG 33 -8.658 16.829 4.028 261 HH21 ARG 33 HH11 ARG 33 -9.022 14.867 1.191 262 HH22 ARG 33 HH12 ARG 33 -9.398 16.384 1.938 263 H ASP 34 H ASP 34 -8.132 7.970 5.029 264 HA ASP 34 HA ASP 34 -5.355 7.405 5.990 265 HB2 ASP 34 HB2 ASP 34 -7.126 6.636 7.563 266 HB3 ASP 34 HB3 ASP 34 -7.813 5.650 6.272 267 H VAL 35 H VAL 35 -4.137 5.960 4.759 268 HA VAL 35 HA VAL 35 -5.390 5.110 2.182 269 HB VAL 35 HB VAL 35 -2.467 5.574 2.850 270 HG11 VAL 35 HG21 VAL 35 -2.824 3.829 1.137 271 HG12 VAL 35 HG22 VAL 35 -2.127 5.283 0.423 272 HG13 VAL 35 HG23 VAL 35 -3.844 4.939 0.221 273 HG21 VAL 35 HG13 VAL 35 -4.222 7.542 2.583 274 HG22 VAL 35 HG11 VAL 35 -4.057 7.170 0.868 275 HG23 VAL 35 HG12 VAL 35 -2.642 7.648 1.808 276 H PHE 36 H PHE 36 -5.248 2.945 1.582 277 HA PHE 36 HA PHE 36 -3.938 1.122 3.563 278 HB2 PHE 36 HB3 PHE 36 -6.454 0.569 1.960 279 HB3 PHE 36 HB2 PHE 36 -5.732 -0.484 3.179 280 HD1 PHE 36 HD1 PHE 36 -5.844 0.072 5.560 281 HD2 PHE 36 HD2 PHE 36 -7.631 2.613 2.594 282 HE1 PHE 36 HE1 PHE 36 -7.105 1.259 7.336 283 HE2 PHE 36 HE2 PHE 36 -8.891 3.800 4.369 284 HZ PHE 36 HZ PHE 36 -8.627 3.123 6.741 285 H TYR 37 H TYR 37 -2.925 -0.752 2.674 286 HA TYR 37 HA TYR 37 -2.486 -0.597 -0.282 287 HB2 TYR 37 HB3 TYR 37 -0.622 -1.463 1.943 288 HB3 TYR 37 HB2 TYR 37 -0.280 -1.724 0.232 289 HD1 TYR 37 HD2 TYR 37 -1.328 1.012 2.580 290 HD2 TYR 37 HD1 TYR 37 0.878 -0.074 -0.941 291 HE1 TYR 37 HE2 TYR 37 -0.482 3.337 2.394 292 HE2 TYR 37 HE1 TYR 37 1.725 2.250 -1.127 293 HH TYR 37 HH TYR 37 1.612 4.448 1.330 294 H TYR 38 H TYR 38 -2.564 -2.553 -1.446 295 HA TYR 38 HA TYR 38 -3.544 -4.912 0.115 296 HB2 TYR 38 HB3 TYR 38 -4.317 -4.024 -2.681 297 HB3 TYR 38 HB2 TYR 38 -4.859 -5.513 -1.909 298 HD1 TYR 38 HD2 TYR 38 -6.167 -5.358 0.270 299 HD2 TYR 38 HD1 TYR 38 -5.385 -1.954 -2.231 300 HE1 TYR 38 HE2 TYR 38 -7.994 -4.112 1.395 301 HE2 TYR 38 HE1 TYR 38 -7.211 -0.708 -1.107 302 HH TYR 38 HH TYR 38 -8.337 -0.977 1.414 303 H SER 39 H SER 39 -2.455 -6.813 -0.229 304 HA SER 39 HA SER 39 -0.200 -6.740 -2.164 305 HB2 SER 39 HB3 SER 39 -0.435 -9.148 -0.528 306 HB3 SER 39 HB2 SER 39 0.913 -8.025 -0.676 307 HG SER 39 HG SER 39 0.244 -7.018 1.049 308 HA PRO 40 HA PRO 40 -1.645 -9.755 -5.020 309 HB2 PRO 40 HB3 PRO 40 0.078 -11.913 -3.904 310 HB3 PRO 40 HB2 PRO 40 0.007 -11.265 -5.553 311 HG2 PRO 40 HG3 PRO 40 2.032 -10.685 -3.943 312 HG3 PRO 40 HG2 PRO 40 1.366 -9.476 -5.055 313 HD2 PRO 40 HD3 PRO 40 0.973 -9.728 -2.086 314 HD3 PRO 40 HD2 PRO 40 1.122 -8.252 -3.063 315 H SER 41 H SER 41 -1.511 -10.928 -1.696 316 HA SER 41 HA SER 41 -3.561 -12.987 -2.253 317 HB2 SER 41 HB3 SER 41 -3.237 -13.646 0.074 318 HB3 SER 41 HB2 SER 41 -1.665 -13.470 -0.702 319 HG SER 41 HG SER 41 -1.614 -11.329 0.192 320 H GLY 42 H GLY 42 -3.635 -9.744 -1.828 321 HA2 GLY 42 HA2 GLY 42 -5.560 -8.388 -1.500 322 HA3 GLY 42 HA3 GLY 42 -6.434 -9.816 -0.943 323 H LYS 43 H LYS 43 -3.373 -9.413 0.519 324 HA LYS 43 HA LYS 43 -4.558 -9.047 3.132 325 HB2 LYS 43 HB3 LYS 43 -2.481 -10.266 2.965 326 HB3 LYS 43 HB2 LYS 43 -1.691 -8.909 2.161 327 HG2 LYS 43 HG3 LYS 43 -1.994 -7.532 4.191 328 HG3 LYS 43 HG2 LYS 43 -2.764 -8.899 4.998 329 HD2 LYS 43 HD3 LYS 43 -0.722 -10.214 4.822 330 HD3 LYS 43 HD2 LYS 43 0.053 -8.942 3.877 331 HE2 LYS 43 HE3 LYS 43 -0.116 -7.400 5.785 332 HE3 LYS 43 HE2 LYS 43 -0.927 -8.648 6.732 333 HZ1 LYS 43 HZ1 LYS 43 1.151 -10.032 6.163 334 HZ2 LYS 43 HZ2 LYS 43 1.259 -8.854 7.383 335 HZ3 LYS 43 HZ3 LYS 43 1.874 -8.534 5.831 336 H LYS 44 H LYS 44 -5.183 -7.140 4.016 337 HA LYS 44 HA LYS 44 -4.277 -4.618 2.743 338 HB2 LYS 44 HB3 LYS 44 -6.109 -3.563 3.878 339 HB3 LYS 44 HB2 LYS 44 -6.728 -5.089 3.246 340 HG2 LYS 44 HG3 LYS 44 -6.236 -6.130 5.487 341 HG3 LYS 44 HG2 LYS 44 -5.852 -4.517 6.089 342 HD2 LYS 44 HD3 LYS 44 -8.111 -3.744 5.517 343 HD3 LYS 44 HD2 LYS 44 -8.502 -5.335 4.864 344 HE2 LYS 44 HE3 LYS 44 -9.382 -5.448 7.037 345 HE3 LYS 44 HE2 LYS 44 -7.801 -6.207 7.221 346 HZ1 LYS 44 HZ1 LYS 44 -8.007 -3.306 7.575 347 HZ2 LYS 44 HZ2 LYS 44 -6.961 -4.417 8.322 348 HZ3 LYS 44 HZ3 LYS 44 -8.582 -4.306 8.819 349 H PHE 45 H PHE 45 -2.778 -3.327 3.713 350 HA PHE 45 HA PHE 45 -2.315 -3.624 6.637 351 HB2 PHE 45 HB3 PHE 45 0.211 -3.455 6.035 352 HB3 PHE 45 HB2 PHE 45 -0.586 -5.017 5.850 353 HD1 PHE 45 HD1 PHE 45 -1.730 -5.420 3.491 354 HD2 PHE 45 HD2 PHE 45 1.422 -2.598 4.233 355 HE1 PHE 45 HE1 PHE 45 -1.153 -5.431 1.079 356 HE2 PHE 45 HE2 PHE 45 1.999 -2.610 1.821 357 HZ PHE 45 HZ PHE 45 0.712 -4.026 0.245 358 H ARG 46 H ARG 46 -1.515 -1.709 7.614 359 HA ARG 46 HA ARG 46 -1.175 0.638 5.802 360 HB2 ARG 46 HB3 ARG 46 -2.473 2.004 7.440 361 HB3 ARG 46 HB2 ARG 46 -3.453 0.751 6.678 362 HG2 ARG 46 HG3 ARG 46 -2.766 -0.709 8.720 363 HG3 ARG 46 HG2 ARG 46 -2.339 0.826 9.474 364 HD2 ARG 46 HD3 ARG 46 -4.626 0.327 10.077 365 HD3 ARG 46 HD2 ARG 46 -4.655 1.654 8.915 366 HE ARG 46 HE ARG 46 -5.678 0.199 7.344 367 HH11 ARG 46 HH21 ARG 46 -4.415 -1.462 10.089 368 HH12 ARG 46 HH22 ARG 46 -5.164 -2.971 9.686 369 HH21 ARG 46 HH11 ARG 46 -6.663 -1.762 6.803 370 HH22 ARG 46 HH12 ARG 46 -6.436 -3.141 7.826 371 H SER 47 H SER 47 1.067 -0.485 6.633 372 HA SER 47 HA SER 47 2.079 1.406 8.662 373 HB2 SER 47 HB3 SER 47 2.829 -1.465 9.049 374 HB3 SER 47 HB2 SER 47 2.777 -0.157 10.227 375 HG SER 47 HG SER 47 0.525 -1.365 8.980 376 H LYS 48 H LYS 48 4.114 2.067 8.098 377 HA LYS 48 HA LYS 48 5.291 1.092 5.639 378 HB2 LYS 48 HB3 LYS 48 5.467 3.441 6.920 379 HB3 LYS 48 HB2 LYS 48 6.922 2.684 7.567 380 HG2 LYS 48 HG3 LYS 48 6.257 2.887 4.615 381 HG3 LYS 48 HG2 LYS 48 7.361 3.964 5.469 382 HD2 LYS 48 HD3 LYS 48 8.512 1.719 6.220 383 HD3 LYS 48 HD2 LYS 48 7.692 1.056 4.806 384 HE2 LYS 48 HE3 LYS 48 9.492 3.497 4.758 385 HE3 LYS 48 HE2 LYS 48 9.997 1.874 4.290 386 HZ1 LYS 48 HZ1 LYS 48 7.975 1.976 2.738 387 HZ2 LYS 48 HZ2 LYS 48 9.373 2.836 2.299 388 HZ3 LYS 48 HZ3 LYS 48 8.048 3.654 2.977 389 HA PRO 49 HA PRO 49 8.479 -0.648 8.988 390 HB2 PRO 49 HB3 PRO 49 6.415 -1.485 10.964 391 HB3 PRO 49 HB2 PRO 49 8.029 -0.799 11.238 392 HG2 PRO 49 HG3 PRO 49 5.849 0.655 11.625 393 HG3 PRO 49 HG2 PRO 49 7.311 1.365 10.921 394 HD2 PRO 49 HD3 PRO 49 4.770 0.532 9.541 395 HD3 PRO 49 HD2 PRO 49 5.807 1.937 9.206 396 H GLN 50 H GLN 50 5.236 -2.177 9.211 397 HA GLN 50 HA GLN 50 6.273 -4.841 8.821 398 HB2 GLN 50 HB3 GLN 50 4.107 -4.424 9.926 399 HB3 GLN 50 HB2 GLN 50 3.461 -3.769 8.420 400 HG2 GLN 50 HG2 GLN 50 3.776 -5.921 7.307 401 HG3 GLN 50 HG3 GLN 50 4.528 -6.589 8.757 402 HE21 GLN 50 HE21 GLN 50 1.432 -5.176 7.593 403 HE22 GLN 50 HE22 GLN 50 0.458 -6.012 8.704 404 H LEU 51 H LEU 51 5.095 -2.326 6.656 405 HA LEU 51 HA LEU 51 4.828 -3.994 4.325 406 HB2 LEU 51 HB2 LEU 51 3.867 -1.672 4.595 407 HB3 LEU 51 HB3 LEU 51 5.501 -1.040 4.390 408 HG LEU 51 HG LEU 51 4.223 -2.900 2.378 409 HD11 LEU 51 HD11 LEU 51 3.473 -1.030 1.122 410 HD12 LEU 51 HD12 LEU 51 4.385 0.105 2.117 411 HD13 LEU 51 HD13 LEU 51 2.956 -0.693 2.775 412 HD21 LEU 51 HD21 LEU 51 5.993 -1.321 1.050 413 HD22 LEU 51 HD22 LEU 51 6.433 -2.867 1.777 414 HD23 LEU 51 HD23 LEU 51 6.749 -1.363 2.644 415 H ALA 52 H ALA 52 7.453 -1.794 5.376 416 HA ALA 52 HA ALA 52 9.242 -2.527 3.257 417 HB1 ALA 52 HB1 ALA 52 9.627 -1.268 5.972 418 HB2 ALA 52 HB2 ALA 52 9.775 -0.519 4.383 419 HB3 ALA 52 HB3 ALA 52 11.006 -1.650 4.942 420 H ARG 53 H ARG 53 8.847 -3.738 6.584 421 HA ARG 53 HA ARG 53 11.060 -5.546 6.533 422 HB2 ARG 53 HB3 ARG 53 8.443 -5.673 8.062 423 HB3 ARG 53 HB2 ARG 53 9.824 -6.725 8.370 424 HG2 ARG 53 HG3 ARG 53 10.204 -3.744 8.339 425 HG3 ARG 53 HG2 ARG 53 9.550 -4.528 9.777 426 HD2 ARG 53 HD3 ARG 53 11.518 -6.075 9.768 427 HD3 ARG 53 HD2 ARG 53 12.191 -5.152 8.424 428 HE ARG 53 HE ARG 53 11.944 -4.206 11.222 429 HH11 ARG 53 HH21 ARG 53 12.718 -3.665 7.905 430 HH12 ARG 53 HH22 ARG 53 13.657 -2.244 8.219 431 HH21 ARG 53 HH11 ARG 53 13.166 -2.354 11.650 432 HH22 ARG 53 HH12 ARG 53 13.912 -1.502 10.338 433 H TYR 54 H TYR 54 7.687 -5.893 5.493 434 HA TYR 54 HA TYR 54 7.709 -8.698 5.026 435 HB2 TYR 54 HB3 TYR 54 5.718 -7.072 4.932 436 HB3 TYR 54 HB2 TYR 54 6.239 -6.713 3.285 437 HD1 TYR 54 HD2 TYR 54 5.383 -9.576 5.542 438 HD2 TYR 54 HD1 TYR 54 5.588 -8.107 1.511 439 HE1 TYR 54 HE2 TYR 54 4.258 -11.633 4.735 440 HE2 TYR 54 HE1 TYR 54 4.463 -10.164 0.703 441 HH TYR 54 HH TYR 54 3.454 -12.720 2.982 442 H LEU 55 H LEU 55 8.375 -6.019 2.742 443 HA LEU 55 HA LEU 55 9.599 -8.009 0.895 444 HB2 LEU 55 HB2 LEU 55 8.970 -5.075 0.436 445 HB3 LEU 55 HB3 LEU 55 9.497 -6.233 -0.786 446 HG LEU 55 HG LEU 55 6.943 -6.457 0.837 447 HD11 LEU 55 HD11 LEU 55 7.570 -5.409 -1.913 448 HD12 LEU 55 HD12 LEU 55 6.517 -4.720 -0.679 449 HD13 LEU 55 HD13 LEU 55 6.001 -6.142 -1.585 450 HD21 LEU 55 HD21 LEU 55 7.461 -8.655 0.274 451 HD22 LEU 55 HD22 LEU 55 8.326 -8.185 -1.190 452 HD23 LEU 55 HD23 LEU 55 6.562 -8.155 -1.159 453 H GLY 56 H GLY 56 10.613 -6.301 3.454 454 HA2 GLY 56 HA2 GLY 56 12.795 -4.722 2.650 455 HA3 GLY 56 HA3 GLY 56 12.753 -5.633 4.162 456 H GLY 57 H GLY 57 12.324 -8.038 2.116 457 HA2 GLY 57 HA2 GLY 57 15.257 -8.510 1.818 458 HA3 GLY 57 HA3 GLY 57 14.045 -9.783 1.950 459 H SER 58 H SER 58 12.160 -9.071 0.109 460 HA SER 58 HA SER 58 13.360 -9.864 -2.365 461 HB2 SER 58 HB3 SER 58 11.158 -9.431 -3.346 462 HB3 SER 58 HB2 SER 58 10.968 -10.242 -1.794 463 HG SER 58 HG SER 58 10.116 -7.802 -2.587 464 H MET 59 H MET 59 12.862 -6.749 -0.894 465 HA MET 59 HA MET 59 14.498 -5.440 -2.884 466 HB2 MET 59 HB3 MET 59 11.640 -5.547 -3.352 467 HB3 MET 59 HB2 MET 59 12.166 -3.879 -3.119 468 HG2 MET 59 HG3 MET 59 13.628 -5.782 -4.957 469 HG3 MET 59 HG2 MET 59 12.287 -4.782 -5.516 470 HE1 MET 59 HE1 MET 59 12.460 -1.947 -4.305 471 HE2 MET 59 HE2 MET 59 12.202 -2.567 -5.932 472 HE3 MET 59 HE3 MET 59 13.401 -1.307 -5.658 473 H ASP 60 H ASP 60 14.707 -3.076 -2.370 474 HA ASP 60 HA ASP 60 14.366 -2.669 0.550 475 HB2 ASP 60 HB2 ASP 60 16.588 -2.281 -0.627 476 HB3 ASP 60 HB3 ASP 60 15.837 -0.891 -1.412 477 H LEU 61 H LEU 61 12.524 -1.645 1.158 478 HA LEU 61 HA LEU 61 11.358 0.373 -0.714 479 HB2 LEU 61 HB2 LEU 61 10.038 -1.225 1.503 480 HB3 LEU 61 HB3 LEU 61 9.224 -0.031 0.490 481 HG LEU 61 HG LEU 61 10.598 -2.537 -0.523 482 HD11 LEU 61 HD11 LEU 61 8.456 -2.899 0.751 483 HD12 LEU 61 HD12 LEU 61 8.367 -3.382 -0.942 484 HD13 LEU 61 HD13 LEU 61 7.645 -1.861 -0.420 485 HD21 LEU 61 HD21 LEU 61 10.723 -1.080 -2.327 486 HD22 LEU 61 HD22 LEU 61 9.300 -0.169 -1.823 487 HD23 LEU 61 HD23 LEU 61 9.112 -1.750 -2.580 488 H SER 62 H SER 62 13.351 0.327 1.824 489 HA SER 62 HA SER 62 12.268 1.941 3.850 490 HB2 SER 62 HB3 SER 62 14.558 0.959 3.899 491 HB3 SER 62 HB2 SER 62 15.066 2.138 2.693 492 HG SER 62 HG SER 62 14.538 2.439 5.392 493 H THR 63 H THR 63 13.334 2.836 0.614 494 HA THR 63 HA THR 63 12.959 5.710 1.212 495 HB THR 63 HB THR 63 13.644 5.967 -1.214 496 HG1 THR 63 HG1 THR 63 13.248 4.105 -2.182 497 HG21 THR 63 HG21 THR 63 16.018 5.144 -0.770 498 HG22 THR 63 HG22 THR 63 15.408 4.505 0.758 499 HG23 THR 63 HG23 THR 63 15.344 6.238 0.438 500 H PHE 64 H PHE 64 10.809 3.429 0.897 501 HA PHE 64 HA PHE 64 9.193 4.566 -1.299 502 HB2 PHE 64 HB3 PHE 64 9.246 2.109 -0.945 503 HB3 PHE 64 HB2 PHE 64 8.551 2.339 0.662 504 HD1 PHE 64 HD2 PHE 64 7.921 3.137 -2.945 505 HD2 PHE 64 HD1 PHE 64 6.223 2.399 0.931 506 HE1 PHE 64 HE2 PHE 64 5.646 3.183 -3.931 507 HE2 PHE 64 HE1 PHE 64 3.949 2.446 -0.055 508 HZ PHE 64 HZ PHE 64 3.660 2.838 -2.487 509 H ASP 65 H ASP 65 7.785 6.205 -0.929 510 HA ASP 65 HA ASP 65 7.269 7.118 1.796 511 HB2 ASP 65 HB2 ASP 65 6.414 8.043 -0.947 512 HB3 ASP 65 HB3 ASP 65 5.711 8.745 0.510 513 H PHE 66 H PHE 66 5.622 6.391 3.048 514 HA PHE 66 HA PHE 66 3.623 4.569 1.957 515 HB2 PHE 66 HB3 PHE 66 4.478 4.232 4.226 516 HB3 PHE 66 HB2 PHE 66 3.895 5.828 4.704 517 HD1 PHE 66 HD2 PHE 66 2.877 2.416 3.686 518 HD2 PHE 66 HD1 PHE 66 1.554 6.238 5.134 519 HE1 PHE 66 HE2 PHE 66 0.652 1.451 4.203 520 HE2 PHE 66 HE1 PHE 66 -0.669 5.273 5.652 521 HZ PHE 66 HZ PHE 66 -1.121 2.878 5.186 522 H ARG 67 H ARG 67 3.610 7.898 3.228 523 HA ARG 67 HA ARG 67 0.794 8.311 3.058 524 HB2 ARG 67 HB3 ARG 67 2.904 9.809 3.932 525 HB3 ARG 67 HB2 ARG 67 2.508 10.638 2.426 526 HG2 ARG 67 HG3 ARG 67 0.505 9.967 4.603 527 HG3 ARG 67 HG2 ARG 67 1.244 11.553 4.371 528 HD2 ARG 67 HD3 ARG 67 -0.472 10.081 2.350 529 HD3 ARG 67 HD2 ARG 67 -0.961 11.488 3.296 530 HE ARG 67 HE ARG 67 1.401 12.181 1.883 531 HH11 ARG 67 HH21 ARG 67 -1.889 11.293 1.355 532 HH12 ARG 67 HH22 ARG 67 -2.038 12.201 -0.113 533 HH21 ARG 67 HH11 ARG 67 1.225 13.372 -0.031 534 HH22 ARG 67 HH12 ARG 67 -0.274 13.378 -0.897 535 H THR 68 H THR 68 3.390 8.931 0.686 536 HA THR 68 HA THR 68 1.355 9.669 -1.335 537 HB THR 68 HB THR 68 3.303 10.213 -2.753 538 HG1 THR 68 HG1 THR 68 4.511 8.480 -1.321 539 HG21 THR 68 HG21 THR 68 3.946 12.141 -1.579 540 HG22 THR 68 HG22 THR 68 3.900 11.319 -0.019 541 HG23 THR 68 HG23 THR 68 2.396 11.733 -0.842 542 H GLY 69 H GLY 69 3.174 6.933 -0.319 543 HA2 GLY 69 HA2 GLY 69 3.284 4.752 -1.175 544 HA3 GLY 69 HA3 GLY 69 1.887 5.174 -2.166 545 H LYS 70 H LYS 70 4.874 6.998 -2.339 546 HA LYS 70 HA LYS 70 5.396 5.760 -5.013 547 HB2 LYS 70 HB3 LYS 70 5.540 8.677 -4.206 548 HB3 LYS 70 HB2 LYS 70 6.184 8.047 -5.723 549 HG2 LYS 70 HG3 LYS 70 3.952 7.218 -6.341 550 HG3 LYS 70 HG2 LYS 70 3.298 7.814 -4.815 551 HD2 LYS 70 HD3 LYS 70 3.876 10.113 -5.431 552 HD3 LYS 70 HD2 LYS 70 4.612 9.546 -6.929 553 HE2 LYS 70 HE3 LYS 70 2.358 10.354 -7.400 554 HE3 LYS 70 HE2 LYS 70 2.406 8.604 -7.615 555 HZ1 LYS 70 HZ1 LYS 70 1.632 9.807 -5.033 556 HZ2 LYS 70 HZ2 LYS 70 1.303 8.248 -5.619 557 HZ3 LYS 70 HZ3 LYS 70 0.494 9.591 -6.272 558 H MET 71 H MET 71 7.649 5.720 -5.640 559 HA MET 71 HA MET 71 9.451 5.552 -3.302 560 HB2 MET 71 HB3 MET 71 9.422 3.711 -4.964 561 HB3 MET 71 HB2 MET 71 9.939 4.845 -6.213 562 HG2 MET 71 HG3 MET 71 12.021 5.276 -5.029 563 HG3 MET 71 HG2 MET 71 11.496 4.278 -3.674 564 HE1 MET 71 HE1 MET 71 12.052 0.796 -4.501 565 HE2 MET 71 HE2 MET 71 11.056 1.970 -3.644 566 HE3 MET 71 HE3 MET 71 12.808 2.019 -3.471 567 H LEU 72 H LEU 72 10.853 7.170 -2.812 568 HA LEU 72 HA LEU 72 11.843 8.928 -4.987 569 HB2 LEU 72 HB2 LEU 72 9.729 9.836 -3.653 570 HB3 LEU 72 HB3 LEU 72 10.953 10.249 -2.453 571 HG LEU 72 HG LEU 72 10.988 11.079 -5.369 572 HD11 LEU 72 HD11 LEU 72 9.307 12.235 -3.894 573 HD12 LEU 72 HD12 LEU 72 10.545 13.314 -4.538 574 HD13 LEU 72 HD13 LEU 72 10.642 12.757 -2.868 575 HD21 LEU 72 HD21 LEU 72 13.251 10.830 -4.653 576 HD22 LEU 72 HD22 LEU 72 12.901 11.507 -3.063 577 HD23 LEU 72 HD23 LEU 72 12.895 12.550 -4.486 Start of MODEL 9 1 H1 GLY 1 H1 GLY 1 -17.910 4.895 -11.633 2 H2 GLY 1 H2 GLY 1 -16.737 5.706 -10.709 3 H3 GLY 1 H3 GLY 1 -17.095 6.235 -12.283 4 HA2 GLY 1 HA2 GLY 1 -18.236 7.843 -11.090 5 HA3 GLY 1 HA3 GLY 1 -19.449 6.535 -11.227 6 H SER 2 H SER 2 -19.546 8.335 -9.146 7 HA SER 2 HA SER 2 -20.709 8.070 -7.123 8 HB2 SER 2 HB3 SER 2 -21.915 6.305 -8.664 9 HB3 SER 2 HB2 SER 2 -21.040 5.138 -7.679 10 HG SER 2 HG SER 2 -22.177 5.715 -5.959 11 H MET 3 H MET 3 -18.226 5.756 -8.007 12 HA MET 3 HA MET 3 -17.731 4.937 -5.239 13 HB2 MET 3 HB3 MET 3 -16.115 4.518 -7.774 14 HB3 MET 3 HB2 MET 3 -15.764 3.766 -6.218 15 HG2 MET 3 HG3 MET 3 -18.337 3.435 -7.788 16 HG3 MET 3 HG2 MET 3 -17.050 2.235 -7.665 17 HE1 MET 3 HE1 MET 3 -16.220 2.429 -4.366 18 HE2 MET 3 HE2 MET 3 -16.140 1.342 -5.751 19 HE3 MET 3 HE3 MET 3 -17.026 0.856 -4.307 20 H GLU 4 H GLU 4 -16.704 6.274 -3.840 21 HA GLU 4 HA GLU 4 -14.972 8.429 -4.910 22 HB2 GLU 4 HB3 GLU 4 -16.076 7.863 -2.146 23 HB3 GLU 4 HB2 GLU 4 -14.977 9.195 -2.501 24 HG2 GLU 4 HG2 GLU 4 -17.094 10.200 -2.691 25 HG3 GLU 4 HG3 GLU 4 -16.691 9.808 -4.363 26 H ARG 5 H ARG 5 -14.323 5.401 -4.588 27 HA ARG 5 HA ARG 5 -12.061 5.514 -2.697 28 HB2 ARG 5 HB3 ARG 5 -12.972 3.291 -4.551 29 HB3 ARG 5 HB2 ARG 5 -11.752 3.143 -3.288 30 HG2 ARG 5 HG3 ARG 5 -13.403 3.659 -1.571 31 HG3 ARG 5 HG2 ARG 5 -14.632 3.949 -2.801 32 HD2 ARG 5 HD3 ARG 5 -15.035 1.730 -2.045 33 HD3 ARG 5 HD2 ARG 5 -14.191 1.543 -3.581 34 HE ARG 5 HE ARG 5 -12.276 1.597 -1.452 35 HH11 ARG 5 HH21 ARG 5 -14.782 -0.302 -2.864 36 HH12 ARG 5 HH22 ARG 5 -14.094 -1.815 -2.375 37 HH21 ARG 5 HH11 ARG 5 -11.362 -0.365 -0.805 38 HH22 ARG 5 HH12 ARG 5 -12.157 -1.851 -1.210 39 H LYS 6 H LYS 6 -10.241 6.508 -3.428 40 HA LYS 6 HA LYS 6 -9.652 6.640 -6.298 41 HB2 LYS 6 HB3 LYS 6 -8.121 7.622 -3.870 42 HB3 LYS 6 HB2 LYS 6 -7.649 7.932 -5.542 43 HG2 LYS 6 HG3 LYS 6 -9.399 9.395 -5.912 44 HG3 LYS 6 HG2 LYS 6 -10.448 8.602 -4.737 45 HD2 LYS 6 HD3 LYS 6 -9.135 9.530 -2.892 46 HD3 LYS 6 HD2 LYS 6 -8.014 10.269 -4.036 47 HE2 LYS 6 HE3 LYS 6 -9.862 11.623 -4.966 48 HE3 LYS 6 HE2 LYS 6 -10.972 10.898 -3.804 49 HZ1 LYS 6 HZ1 LYS 6 -10.346 12.408 -2.336 50 HZ2 LYS 6 HZ2 LYS 6 -9.241 13.077 -3.441 51 HZ3 LYS 6 HZ3 LYS 6 -8.753 11.830 -2.397 52 H ARG 7 H ARG 7 -7.322 6.073 -6.983 53 HA ARG 7 HA ARG 7 -6.227 3.738 -5.524 54 HB2 ARG 7 HB3 ARG 7 -7.468 3.665 -8.265 55 HB3 ARG 7 HB2 ARG 7 -6.143 2.568 -7.868 56 HG2 ARG 7 HG3 ARG 7 -8.462 2.815 -5.975 57 HG3 ARG 7 HG2 ARG 7 -8.630 1.821 -7.423 58 HD2 ARG 7 HD3 ARG 7 -6.519 0.623 -6.764 59 HD3 ARG 7 HD2 ARG 7 -6.539 1.524 -5.249 60 HE ARG 7 HE ARG 7 -9.074 0.267 -5.568 61 HH11 ARG 7 HH21 ARG 7 -5.736 -0.441 -5.076 62 HH12 ARG 7 HH22 ARG 7 -6.039 -1.905 -4.200 63 HH21 ARG 7 HH11 ARG 7 -9.489 -1.642 -4.430 64 HH22 ARG 7 HH12 ARG 7 -8.162 -2.585 -3.835 65 H TRP 8 H TRP 8 -4.011 3.602 -5.766 66 HA TRP 8 HA TRP 8 -2.773 5.389 -7.824 67 HB2 TRP 8 HB3 TRP 8 -1.426 4.744 -5.210 68 HB3 TRP 8 HB2 TRP 8 -1.150 6.110 -6.291 69 HD1 TRP 8 HD1 TRP 8 -2.599 5.473 -3.091 70 HE1 TRP 8 HE1 TRP 8 -4.412 7.197 -2.471 71 HE3 TRP 8 HE3 TRP 8 -3.453 7.543 -7.681 72 HZ2 TRP 8 HZ2 TRP 8 -6.013 9.191 -3.752 73 HZ3 TRP 8 HZ3 TRP 8 -5.126 9.352 -7.952 74 HH2 TRP 8 HH2 TRP 8 -6.405 10.178 -5.996 75 H GLU 9 H GLU 9 -1.728 4.158 -9.306 76 HA GLU 9 HA GLU 9 -0.964 1.400 -8.725 77 HB2 GLU 9 HB3 GLU 9 -0.496 3.191 -11.127 78 HB3 GLU 9 HB2 GLU 9 -0.005 1.497 -11.055 79 HG2 GLU 9 HG2 GLU 9 -2.308 0.791 -10.734 80 HG3 GLU 9 HG3 GLU 9 -2.847 2.467 -10.631 81 H CYS 10 H CYS 10 1.197 0.605 -8.619 82 HA CYS 10 HA CYS 10 3.327 2.674 -8.329 83 HB2 CYS 10 HB3 CYS 10 4.182 1.421 -6.341 84 HB3 CYS 10 HB2 CYS 10 2.593 2.136 -6.066 85 HG CYS 10 HG CYS 10 2.282 -0.289 -5.307 86 HA PRO 11 HA PRO 11 4.940 -0.574 -11.073 87 HB2 PRO 11 HB3 PRO 11 6.759 1.060 -12.298 88 HB3 PRO 11 HB2 PRO 11 5.051 0.983 -12.767 89 HG2 PRO 11 HG3 PRO 11 6.475 3.011 -11.133 90 HG3 PRO 11 HG2 PRO 11 5.158 3.217 -12.299 91 HD2 PRO 11 HD3 PRO 11 4.827 3.221 -9.568 92 HD3 PRO 11 HD2 PRO 11 3.529 2.814 -10.712 93 H ALA 12 H ALA 12 6.397 1.276 -8.583 94 HA ALA 12 HA ALA 12 9.070 0.115 -8.844 95 HB1 ALA 12 HB1 ALA 12 7.768 1.592 -6.535 96 HB2 ALA 12 HB2 ALA 12 8.759 2.324 -7.796 97 HB3 ALA 12 HB3 ALA 12 9.482 1.191 -6.655 98 H LEU 13 H LEU 13 6.057 -0.787 -7.392 99 HA LEU 13 HA LEU 13 7.392 -2.849 -5.716 100 HB2 LEU 13 HB2 LEU 13 4.585 -1.749 -5.842 101 HB3 LEU 13 HB3 LEU 13 4.935 -3.262 -5.002 102 HG LEU 13 HG LEU 13 4.998 -1.160 -3.558 103 HD11 LEU 13 HD11 LEU 13 7.694 -2.489 -3.595 104 HD12 LEU 13 HD12 LEU 13 6.257 -3.440 -3.224 105 HD13 LEU 13 HD13 LEU 13 6.685 -2.059 -2.214 106 HD21 LEU 13 HD21 LEU 13 6.814 0.354 -3.784 107 HD22 LEU 13 HD22 LEU 13 6.227 0.122 -5.432 108 HD23 LEU 13 HD23 LEU 13 7.678 -0.720 -4.884 109 HA PRO 14 HA PRO 14 6.692 -6.249 -8.424 110 HB2 PRO 14 HB3 PRO 14 5.225 -7.566 -6.184 111 HB3 PRO 14 HB2 PRO 14 6.611 -8.151 -7.127 112 HG2 PRO 14 HG3 PRO 14 6.902 -7.272 -4.632 113 HG3 PRO 14 HG2 PRO 14 8.134 -6.982 -5.871 114 HD2 PRO 14 HD3 PRO 14 6.157 -5.060 -4.700 115 HD3 PRO 14 HD2 PRO 14 7.802 -4.769 -5.307 116 H GLN 15 H GLN 15 5.059 -7.087 -9.786 117 HA GLN 15 HA GLN 15 2.638 -5.647 -10.042 118 HB2 GLN 15 HB3 GLN 15 3.293 -8.455 -10.989 119 HB3 GLN 15 HB2 GLN 15 1.928 -7.491 -11.553 120 HG2 GLN 15 HG2 GLN 15 4.840 -6.677 -11.784 121 HG3 GLN 15 HG3 GLN 15 3.867 -7.338 -13.098 122 HE21 GLN 15 HE21 GLN 15 1.416 -5.977 -12.658 123 HE22 GLN 15 HE22 GLN 15 1.658 -4.314 -12.892 124 H GLY 16 H GLY 16 0.792 -5.733 -8.858 125 HA2 GLY 16 HA2 GLY 16 -0.988 -7.356 -8.027 126 HA3 GLY 16 HA3 GLY 16 0.330 -8.171 -7.185 127 H TRP 17 H TRP 17 1.498 -5.339 -6.738 128 HA TRP 17 HA TRP 17 0.037 -4.882 -4.208 129 HB2 TRP 17 HB3 TRP 17 2.602 -3.715 -5.325 130 HB3 TRP 17 HB2 TRP 17 1.918 -3.276 -3.760 131 HD1 TRP 17 HD1 TRP 17 2.991 -6.489 -5.633 132 HE1 TRP 17 HE1 TRP 17 3.969 -8.133 -3.905 133 HE3 TRP 17 HE3 TRP 17 2.263 -3.804 -1.352 134 HZ2 TRP 17 HZ2 TRP 17 4.387 -8.288 -1.079 135 HZ3 TRP 17 HZ3 TRP 17 2.961 -4.722 0.842 136 HH2 TRP 17 HH2 TRP 17 4.019 -6.958 0.983 137 H GLU 18 H GLU 18 -1.207 -3.067 -3.821 138 HA GLU 18 HA GLU 18 -1.165 -0.852 -5.789 139 HB2 GLU 18 HB3 GLU 18 -3.654 -2.453 -5.114 140 HB3 GLU 18 HB2 GLU 18 -3.640 -0.952 -6.039 141 HG2 GLU 18 HG2 GLU 18 -2.156 -3.483 -6.811 142 HG3 GLU 18 HG3 GLU 18 -3.681 -2.946 -7.519 143 H ARG 19 H ARG 19 -2.429 1.035 -4.970 144 HA ARG 19 HA ARG 19 -2.730 0.955 -1.993 145 HB2 ARG 19 HB3 ARG 19 -1.780 3.278 -3.699 146 HB3 ARG 19 HB2 ARG 19 -1.975 3.297 -1.946 147 HG2 ARG 19 HG3 ARG 19 0.289 2.810 -2.106 148 HG3 ARG 19 HG2 ARG 19 -0.387 1.180 -2.071 149 HD2 ARG 19 HD3 ARG 19 -0.520 1.776 -4.747 150 HD3 ARG 19 HD2 ARG 19 0.960 2.606 -4.270 151 HE ARG 19 HE ARG 19 0.654 -0.244 -4.501 152 HH11 ARG 19 HH21 ARG 19 2.034 2.267 -2.584 153 HH12 ARG 19 HH22 ARG 19 3.346 1.294 -2.012 154 HH21 ARG 19 HH11 ARG 19 2.361 -1.531 -3.766 155 HH22 ARG 19 HH12 ARG 19 3.531 -0.859 -2.682 156 H GLU 20 H GLU 20 -4.337 2.541 -1.166 157 HA GLU 20 HA GLU 20 -6.303 3.488 -3.175 158 HB2 GLU 20 HB3 GLU 20 -7.070 1.230 -2.572 159 HB3 GLU 20 HB2 GLU 20 -7.008 1.655 -0.862 160 HG2 GLU 20 HG2 GLU 20 -8.694 3.416 -1.229 161 HG3 GLU 20 HG3 GLU 20 -8.756 3.002 -2.943 162 H GLU 21 H GLU 21 -7.167 5.435 -2.564 163 HA GLU 21 HA GLU 21 -6.530 6.397 0.186 164 HB2 GLU 21 HB3 GLU 21 -6.010 7.616 -2.173 165 HB3 GLU 21 HB2 GLU 21 -7.618 8.267 -1.854 166 HG2 GLU 21 HG2 GLU 21 -6.214 9.805 -0.765 167 HG3 GLU 21 HG3 GLU 21 -6.697 8.726 0.544 168 H VAL 22 H VAL 22 -8.185 6.699 1.615 169 HA VAL 22 HA VAL 22 -10.958 6.889 0.528 170 HB VAL 22 HB VAL 22 -10.322 5.301 3.013 171 HG11 VAL 22 HG21 VAL 22 -12.497 4.259 2.458 172 HG12 VAL 22 HG22 VAL 22 -12.619 5.286 1.030 173 HG13 VAL 22 HG23 VAL 22 -12.651 6.006 2.640 174 HG21 VAL 22 HG13 VAL 22 -9.033 4.255 1.228 175 HG22 VAL 22 HG11 VAL 22 -10.419 4.330 0.140 176 HG23 VAL 22 HG12 VAL 22 -10.459 3.269 1.549 177 HA PRO 23 HA PRO 23 -10.368 10.480 3.295 178 HB2 PRO 23 HB3 PRO 23 -12.984 11.110 2.030 179 HB3 PRO 23 HB2 PRO 23 -11.533 12.119 2.187 180 HG2 PRO 23 HG3 PRO 23 -12.215 11.057 -0.146 181 HG3 PRO 23 HG2 PRO 23 -10.520 11.185 0.346 182 HD2 PRO 23 HD3 PRO 23 -12.281 8.756 0.312 183 HD3 PRO 23 HD2 PRO 23 -10.552 8.920 -0.068 184 H ARG 24 H ARG 24 -11.155 10.653 5.373 185 HA ARG 24 HA ARG 24 -13.076 8.760 6.372 186 HB2 ARG 24 HB3 ARG 24 -11.277 9.795 7.760 187 HB3 ARG 24 HB2 ARG 24 -12.129 11.338 7.665 188 HG2 ARG 24 HG3 ARG 24 -14.052 10.424 8.810 189 HG3 ARG 24 HG2 ARG 24 -13.372 8.796 8.748 190 HD2 ARG 24 HD3 ARG 24 -11.747 10.949 10.038 191 HD3 ARG 24 HD2 ARG 24 -13.124 10.301 10.928 192 HE ARG 24 HE ARG 24 -12.035 8.136 10.954 193 HH11 ARG 24 HH21 ARG 24 -10.291 10.676 9.406 194 HH12 ARG 24 HH22 ARG 24 -8.776 9.836 9.438 195 HH21 ARG 24 HH11 ARG 24 -10.067 7.024 11.005 196 HH22 ARG 24 HH12 ARG 24 -8.650 7.769 10.344 197 H ARG 25 H ARG 25 -15.242 9.124 7.046 198 HA ARG 25 HA ARG 25 -16.477 11.722 6.320 199 HB2 ARG 25 HB3 ARG 25 -17.308 9.033 5.196 200 HB3 ARG 25 HB2 ARG 25 -18.313 10.481 5.112 201 HG2 ARG 25 HG3 ARG 25 -16.552 11.659 3.874 202 HG3 ARG 25 HG2 ARG 25 -15.509 10.240 3.985 203 HD2 ARG 25 HD3 ARG 25 -17.178 8.920 2.726 204 HD3 ARG 25 HD2 ARG 25 -18.203 10.348 2.598 205 HE ARG 25 HE ARG 25 -15.703 9.873 1.109 206 HH11 ARG 25 HH21 ARG 25 -18.186 12.020 2.164 207 HH12 ARG 25 HH22 ARG 25 -17.899 13.181 0.911 208 HH21 ARG 25 HH11 ARG 25 -15.315 11.376 -0.534 209 HH22 ARG 25 HH12 ARG 25 -16.274 12.816 -0.617 210 H SER 26 H SER 26 -16.660 8.596 7.926 211 HA SER 26 HA SER 26 -18.831 9.715 9.656 212 HB2 SER 26 HB3 SER 26 -18.338 6.834 8.849 213 HB3 SER 26 HB2 SER 26 -19.545 7.353 10.023 214 HG SER 26 HG SER 26 -19.406 7.850 7.247 215 H GLY 27 H GLY 27 -15.619 8.876 9.553 216 HA2 GLY 27 HA2 GLY 27 -15.369 7.556 12.129 217 HA3 GLY 27 HA3 GLY 27 -14.044 8.249 11.192 218 H LEU 28 H LEU 28 -14.471 8.541 14.063 219 HA LEU 28 HA LEU 28 -15.611 11.070 14.730 220 HB2 LEU 28 HB2 LEU 28 -15.023 9.377 16.428 221 HB3 LEU 28 HB3 LEU 28 -13.313 9.604 16.064 222 HG LEU 28 HG LEU 28 -13.468 11.963 16.746 223 HD11 LEU 28 HD11 LEU 28 -16.369 11.237 16.944 224 HD12 LEU 28 HD12 LEU 28 -15.625 12.706 16.313 225 HD13 LEU 28 HD13 LEU 28 -15.722 12.446 18.054 226 HD21 LEU 28 HD21 LEU 28 -14.717 10.176 18.853 227 HD22 LEU 28 HD22 LEU 28 -13.699 11.591 19.124 228 HD23 LEU 28 HD23 LEU 28 -13.008 10.129 18.424 229 H SER 29 H SER 29 -12.333 10.157 13.707 230 HA SER 29 HA SER 29 -11.307 12.870 14.001 231 HB2 SER 29 HB3 SER 29 -9.990 10.616 14.029 232 HB3 SER 29 HB2 SER 29 -10.040 10.754 12.274 233 HG SER 29 HG SER 29 -8.187 11.743 13.380 234 H ALA 30 H ALA 30 -13.712 12.361 12.254 235 HA ALA 30 HA ALA 30 -13.455 12.420 9.560 236 HB1 ALA 30 HB1 ALA 30 -14.991 14.265 11.369 237 HB2 ALA 30 HB2 ALA 30 -15.596 12.999 10.301 238 HB3 ALA 30 HB3 ALA 30 -15.024 14.525 9.626 239 H GLY 31 H GLY 31 -12.806 13.941 7.934 240 HA2 GLY 31 HA2 GLY 31 -11.836 16.099 7.291 241 HA3 GLY 31 HA3 GLY 31 -11.134 16.214 8.906 242 H HIS 32 H HIS 32 -10.076 13.584 9.089 243 HA HIS 32 HA HIS 32 -7.743 13.895 7.301 244 HB2 HIS 32 HB2 HIS 32 -8.238 11.932 9.563 245 HB3 HIS 32 HB3 HIS 32 -6.704 12.183 8.728 246 HD1 HIS 32 HD1 HIS 32 -9.049 13.808 11.179 247 HD2 HIS 32 HD2 HIS 32 -5.331 14.569 9.448 248 HE1 HIS 32 HE1 HIS 32 -8.041 15.746 12.465 249 HE2 HIS 32 HE2 HIS 32 -5.778 16.217 11.420 250 H ARG 33 H ARG 33 -6.925 12.013 6.091 251 HA ARG 33 HA ARG 33 -9.140 10.173 5.275 252 HB2 ARG 33 HB3 ARG 33 -8.147 10.119 3.048 253 HB3 ARG 33 HB2 ARG 33 -8.419 11.799 3.513 254 HG2 ARG 33 HG3 ARG 33 -6.050 11.954 4.251 255 HG3 ARG 33 HG2 ARG 33 -5.790 10.298 3.699 256 HD2 ARG 33 HD3 ARG 33 -6.462 10.980 1.407 257 HD3 ARG 33 HD2 ARG 33 -6.647 12.641 1.972 258 HE ARG 33 HE ARG 33 -4.096 11.238 1.528 259 HH11 ARG 33 HH21 ARG 33 -5.843 13.867 2.916 260 HH12 ARG 33 HH22 ARG 33 -4.454 14.894 3.046 261 HH21 ARG 33 HH11 ARG 33 -2.272 12.564 1.690 262 HH22 ARG 33 HH12 ARG 33 -2.433 14.157 2.352 263 H ASP 34 H ASP 34 -8.680 7.982 5.258 264 HA ASP 34 HA ASP 34 -6.023 7.207 6.352 265 HB2 ASP 34 HB2 ASP 34 -8.745 5.924 6.336 266 HB3 ASP 34 HB3 ASP 34 -7.305 4.934 6.585 267 H VAL 35 H VAL 35 -4.647 5.880 5.187 268 HA VAL 35 HA VAL 35 -5.541 5.183 2.421 269 HB VAL 35 HB VAL 35 -2.710 5.493 3.466 270 HG11 VAL 35 HG21 VAL 35 -3.253 4.018 1.407 271 HG12 VAL 35 HG22 VAL 35 -2.022 5.266 1.215 272 HG13 VAL 35 HG23 VAL 35 -3.653 5.533 0.599 273 HG21 VAL 35 HG13 VAL 35 -4.638 7.410 2.170 274 HG22 VAL 35 HG11 VAL 35 -2.903 7.586 1.900 275 HG23 VAL 35 HG12 VAL 35 -3.556 7.681 3.536 276 H PHE 36 H PHE 36 -5.530 3.045 1.827 277 HA PHE 36 HA PHE 36 -4.338 1.108 3.774 278 HB2 PHE 36 HB3 PHE 36 -6.810 0.819 2.040 279 HB3 PHE 36 HB2 PHE 36 -6.108 -0.482 3.001 280 HD1 PHE 36 HD1 PHE 36 -7.829 2.785 3.132 281 HD2 PHE 36 HD2 PHE 36 -6.289 -0.508 5.418 282 HE1 PHE 36 HE1 PHE 36 -9.044 3.606 5.132 283 HE2 PHE 36 HE2 PHE 36 -7.505 0.311 7.418 284 HZ PHE 36 HZ PHE 36 -8.881 2.368 7.275 285 H TYR 37 H TYR 37 -3.155 -0.622 2.891 286 HA TYR 37 HA TYR 37 -2.596 -0.387 -0.040 287 HB2 TYR 37 HB3 TYR 37 -0.815 -1.249 2.254 288 HB3 TYR 37 HB2 TYR 37 -0.381 -1.460 0.559 289 HD1 TYR 37 HD1 TYR 37 -1.812 1.242 2.748 290 HD2 TYR 37 HD2 TYR 37 0.959 0.199 -0.365 291 HE1 TYR 37 HE1 TYR 37 -1.032 3.594 2.654 292 HE2 TYR 37 HE2 TYR 37 1.740 2.551 -0.458 293 HH TYR 37 HH TYR 37 1.760 4.551 1.312 294 H TYR 38 H TYR 38 -2.554 -2.311 -1.256 295 HA TYR 38 HA TYR 38 -3.454 -4.764 0.201 296 HB2 TYR 38 HB3 TYR 38 -4.266 -3.862 -2.581 297 HB3 TYR 38 HB2 TYR 38 -4.798 -5.340 -1.778 298 HD1 TYR 38 HD1 TYR 38 -5.997 -5.094 0.500 299 HD2 TYR 38 HD2 TYR 38 -5.440 -1.849 -2.257 300 HE1 TYR 38 HE1 TYR 38 -7.824 -3.838 1.610 301 HE2 TYR 38 HE2 TYR 38 -7.267 -0.592 -1.147 302 HH TYR 38 HH TYR 38 -8.535 -0.499 0.763 303 H SER 39 H SER 39 -2.294 -6.606 -0.250 304 HA SER 39 HA SER 39 -0.051 -6.333 -2.182 305 HB2 SER 39 HB3 SER 39 1.128 -7.614 -0.739 306 HB3 SER 39 HB2 SER 39 -0.209 -7.409 0.389 307 HG SER 39 HG SER 39 0.284 -9.619 -0.021 308 HA PRO 40 HA PRO 40 -1.380 -9.256 -5.189 309 HB2 PRO 40 HB3 PRO 40 0.498 -11.348 -4.192 310 HB3 PRO 40 HB2 PRO 40 0.338 -10.654 -5.818 311 HG2 PRO 40 HG3 PRO 40 2.370 -9.993 -4.257 312 HG3 PRO 40 HG2 PRO 40 1.583 -8.789 -5.292 313 HD2 PRO 40 HD3 PRO 40 1.308 -9.162 -2.317 314 HD3 PRO 40 HD2 PRO 40 1.314 -7.658 -3.261 315 H SER 41 H SER 41 -1.034 -10.677 -1.961 316 HA SER 41 HA SER 41 -2.987 -12.796 -2.582 317 HB2 SER 41 HB3 SER 41 -1.111 -13.337 -1.099 318 HB3 SER 41 HB2 SER 41 -1.582 -12.044 0.001 319 HG SER 41 HG SER 41 -3.707 -13.258 -0.035 320 H GLY 42 H GLY 42 -3.305 -9.604 -2.045 321 HA2 GLY 42 HA2 GLY 42 -5.300 -8.400 -1.597 322 HA3 GLY 42 HA3 GLY 42 -6.059 -9.908 -1.084 323 H LYS 43 H LYS 43 -2.989 -9.308 0.313 324 HA LYS 43 HA LYS 43 -4.108 -9.169 2.973 325 HB2 LYS 43 HB3 LYS 43 -1.914 -10.160 2.640 326 HB3 LYS 43 HB2 LYS 43 -1.300 -8.659 1.944 327 HG2 LYS 43 HG3 LYS 43 -1.732 -7.504 4.098 328 HG3 LYS 43 HG2 LYS 43 -2.282 -9.031 4.791 329 HD2 LYS 43 HD3 LYS 43 -0.089 -10.033 4.439 330 HD3 LYS 43 HD2 LYS 43 0.474 -8.581 3.612 331 HE2 LYS 43 HE3 LYS 43 0.213 -7.267 5.651 332 HE3 LYS 43 HE2 LYS 43 -0.473 -8.659 6.490 333 HZ1 LYS 43 HZ1 LYS 43 2.267 -8.503 5.358 334 HZ2 LYS 43 HZ2 LYS 43 1.605 -9.839 6.172 335 HZ3 LYS 43 HZ3 LYS 43 1.872 -8.381 7.002 336 H LYS 44 H LYS 44 -5.001 -7.373 3.854 337 HA LYS 44 HA LYS 44 -4.283 -4.715 2.748 338 HB2 LYS 44 HB3 LYS 44 -6.237 -3.892 3.890 339 HB3 LYS 44 HB2 LYS 44 -6.695 -5.410 3.120 340 HG2 LYS 44 HG3 LYS 44 -6.183 -6.572 5.304 341 HG3 LYS 44 HG2 LYS 44 -5.993 -4.977 6.035 342 HD2 LYS 44 HD3 LYS 44 -8.302 -4.398 5.344 343 HD3 LYS 44 HD2 LYS 44 -8.491 -6.012 4.659 344 HE2 LYS 44 HE3 LYS 44 -7.895 -5.399 7.570 345 HE3 LYS 44 HE2 LYS 44 -9.462 -5.892 6.929 346 HZ1 LYS 44 HZ1 LYS 44 -7.061 -7.466 7.380 347 HZ2 LYS 44 HZ2 LYS 44 -7.920 -7.816 5.955 348 HZ3 LYS 44 HZ3 LYS 44 -8.692 -7.923 7.466 349 H PHE 45 H PHE 45 -2.830 -3.447 3.791 350 HA PHE 45 HA PHE 45 -2.530 -3.735 6.734 351 HB2 PHE 45 HB3 PHE 45 -0.034 -3.679 6.455 352 HB3 PHE 45 HB2 PHE 45 -0.775 -5.154 5.835 353 HD1 PHE 45 HD2 PHE 45 -1.127 -5.446 3.381 354 HD2 PHE 45 HD1 PHE 45 1.042 -2.106 4.991 355 HE1 PHE 45 HE2 PHE 45 -0.174 -4.985 1.138 356 HE2 PHE 45 HE1 PHE 45 1.996 -1.645 2.749 357 HZ PHE 45 HZ PHE 45 1.389 -3.084 0.822 358 H ARG 46 H ARG 46 -1.778 -1.808 7.747 359 HA ARG 46 HA ARG 46 -1.413 0.544 5.943 360 HB2 ARG 46 HB3 ARG 46 -2.758 1.864 7.658 361 HB3 ARG 46 HB2 ARG 46 -3.690 0.733 6.676 362 HG2 ARG 46 HG3 ARG 46 -3.564 -0.943 8.485 363 HG3 ARG 46 HG2 ARG 46 -2.640 0.192 9.471 364 HD2 ARG 46 HD3 ARG 46 -4.530 1.781 9.414 365 HD3 ARG 46 HD2 ARG 46 -5.458 0.638 8.442 366 HE ARG 46 HE ARG 46 -4.901 0.403 11.321 367 HH11 ARG 46 HH21 ARG 46 -5.885 -1.061 8.360 368 HH12 ARG 46 HH22 ARG 46 -6.734 -2.360 9.129 369 HH21 ARG 46 HH11 ARG 46 -6.005 -1.284 12.344 370 HH22 ARG 46 HH12 ARG 46 -6.802 -2.486 11.384 371 H SER 47 H SER 47 0.839 -0.441 6.791 372 HA SER 47 HA SER 47 1.746 1.442 8.858 373 HB2 SER 47 HB3 SER 47 2.442 -1.441 9.322 374 HB3 SER 47 HB2 SER 47 2.437 -0.102 10.465 375 HG SER 47 HG SER 47 0.348 -0.358 10.766 376 H LYS 48 H LYS 48 3.891 1.988 8.520 377 HA LYS 48 HA LYS 48 5.131 1.212 6.048 378 HB2 LYS 48 HB3 LYS 48 5.571 3.153 8.072 379 HB3 LYS 48 HB2 LYS 48 7.069 2.231 7.918 380 HG2 LYS 48 HG3 LYS 48 6.806 2.540 5.381 381 HG3 LYS 48 HG2 LYS 48 5.590 3.755 5.769 382 HD2 LYS 48 HD3 LYS 48 7.280 4.928 7.190 383 HD3 LYS 48 HD2 LYS 48 8.490 3.763 6.651 384 HE2 LYS 48 HE3 LYS 48 6.991 5.786 4.976 385 HE3 LYS 48 HE2 LYS 48 8.733 5.658 5.218 386 HZ1 LYS 48 HZ1 LYS 48 6.954 3.932 3.624 387 HZ2 LYS 48 HZ2 LYS 48 8.431 3.332 4.210 388 HZ3 LYS 48 HZ3 LYS 48 8.409 4.675 3.168 389 HA PRO 49 HA PRO 49 8.041 -1.287 9.169 390 HB2 PRO 49 HB3 PRO 49 5.864 -2.039 11.064 391 HB3 PRO 49 HB2 PRO 49 7.564 -1.649 11.393 392 HG2 PRO 49 HG3 PRO 49 5.632 0.073 11.968 393 HG3 PRO 49 HG2 PRO 49 7.196 0.621 11.339 394 HD2 PRO 49 HD3 PRO 49 4.561 0.398 9.904 395 HD3 PRO 49 HD2 PRO 49 5.844 1.611 9.703 396 H GLN 50 H GLN 50 4.597 -2.229 8.928 397 HA GLN 50 HA GLN 50 5.139 -5.030 8.538 398 HB2 GLN 50 HB3 GLN 50 2.734 -3.355 7.758 399 HB3 GLN 50 HB2 GLN 50 2.785 -5.118 7.718 400 HG2 GLN 50 HG2 GLN 50 3.247 -3.416 10.186 401 HG3 GLN 50 HG3 GLN 50 1.754 -4.282 9.814 402 HE21 GLN 50 HE21 GLN 50 1.753 -6.616 10.030 403 HE22 GLN 50 HE22 GLN 50 3.032 -7.449 10.772 404 H LEU 51 H LEU 51 4.720 -2.296 6.318 405 HA LEU 51 HA LEU 51 4.681 -3.854 3.908 406 HB2 LEU 51 HB2 LEU 51 3.946 -1.518 3.927 407 HB3 LEU 51 HB3 LEU 51 5.570 -0.992 4.377 408 HG LEU 51 HG LEU 51 6.464 -1.880 2.271 409 HD11 LEU 51 HD11 LEU 51 5.204 -3.702 1.611 410 HD12 LEU 51 HD12 LEU 51 4.489 -2.468 0.575 411 HD13 LEU 51 HD13 LEU 51 3.678 -2.944 2.067 412 HD21 LEU 51 HD21 LEU 51 4.032 -0.317 1.455 413 HD22 LEU 51 HD22 LEU 51 5.703 -0.133 0.921 414 HD23 LEU 51 HD23 LEU 51 5.219 0.434 2.521 415 H ALA 52 H ALA 52 7.332 -2.215 5.648 416 HA ALA 52 HA ALA 52 9.369 -3.031 3.775 417 HB1 ALA 52 HB1 ALA 52 9.417 -2.017 6.617 418 HB2 ALA 52 HB2 ALA 52 9.947 -1.194 5.149 419 HB3 ALA 52 HB3 ALA 52 10.896 -2.527 5.806 420 H ARG 53 H ARG 53 8.262 -4.349 6.901 421 HA ARG 53 HA ARG 53 10.165 -6.458 7.074 422 HB2 ARG 53 HB3 ARG 53 8.666 -5.781 8.939 423 HB3 ARG 53 HB2 ARG 53 7.293 -6.454 8.058 424 HG2 ARG 53 HG3 ARG 53 8.084 -8.098 9.677 425 HG3 ARG 53 HG2 ARG 53 8.441 -8.672 8.046 426 HD2 ARG 53 HD3 ARG 53 10.713 -8.364 8.284 427 HD3 ARG 53 HD2 ARG 53 10.520 -7.024 9.414 428 HE ARG 53 HE ARG 53 9.694 -9.650 10.449 429 HH11 ARG 53 HH21 ARG 53 12.137 -7.247 10.072 430 HH12 ARG 53 HH22 ARG 53 13.061 -7.782 11.436 431 HH21 ARG 53 HH11 ARG 53 10.887 -10.362 12.232 432 HH22 ARG 53 HH12 ARG 53 12.354 -9.546 12.659 433 H TYR 54 H TYR 54 6.946 -6.345 5.547 434 HA TYR 54 HA TYR 54 6.864 -9.096 4.777 435 HB2 TYR 54 HB3 TYR 54 4.943 -7.420 4.729 436 HB3 TYR 54 HB2 TYR 54 5.635 -6.805 3.227 437 HD1 TYR 54 HD1 TYR 54 5.974 -8.411 1.283 438 HD2 TYR 54 HD2 TYR 54 3.646 -9.408 4.753 439 HE1 TYR 54 HE1 TYR 54 4.885 -10.250 0.025 440 HE2 TYR 54 HE2 TYR 54 2.558 -11.247 3.495 441 HH TYR 54 HH TYR 54 2.937 -12.634 1.576 442 H LEU 55 H LEU 55 7.812 -6.212 2.873 443 HA LEU 55 HA LEU 55 9.000 -7.982 0.826 444 HB2 LEU 55 HB2 LEU 55 8.699 -4.970 1.001 445 HB3 LEU 55 HB3 LEU 55 9.469 -5.804 -0.348 446 HG LEU 55 HG LEU 55 6.646 -6.377 0.587 447 HD11 LEU 55 HD11 LEU 55 7.699 -4.555 -1.588 448 HD12 LEU 55 HD12 LEU 55 6.634 -4.130 -0.248 449 HD13 LEU 55 HD13 LEU 55 6.040 -5.151 -1.559 450 HD21 LEU 55 HD21 LEU 55 8.433 -7.336 -1.622 451 HD22 LEU 55 HD22 LEU 55 6.698 -7.235 -1.922 452 HD23 LEU 55 HD23 LEU 55 7.310 -8.253 -0.618 453 H GLY 56 H GLY 56 9.990 -6.889 3.747 454 HA2 GLY 56 HA2 GLY 56 12.451 -5.640 3.510 455 HA3 GLY 56 HA3 GLY 56 12.145 -6.898 4.708 456 H GLY 57 H GLY 57 12.466 -9.172 3.965 457 HA2 GLY 57 HA2 GLY 57 14.998 -9.503 2.688 458 HA3 GLY 57 HA3 GLY 57 13.857 -10.807 3.017 459 H SER 58 H SER 58 12.340 -8.392 1.242 460 HA SER 58 HA SER 58 12.676 -10.000 -1.249 461 HB2 SER 58 HB3 SER 58 10.554 -7.907 -0.777 462 HB3 SER 58 HB2 SER 58 10.532 -9.253 -1.915 463 HG SER 58 HG SER 58 9.986 -10.583 -0.344 464 H MET 59 H MET 59 13.126 -6.820 0.134 465 HA MET 59 HA MET 59 14.935 -5.964 -1.875 466 HB2 MET 59 HB3 MET 59 13.297 -4.121 -2.801 467 HB3 MET 59 HB2 MET 59 13.282 -5.738 -3.509 468 HG2 MET 59 HG3 MET 59 11.279 -6.318 -2.485 469 HG3 MET 59 HG2 MET 59 11.508 -5.179 -1.159 470 HE1 MET 59 HE1 MET 59 10.042 -5.825 -4.664 471 HE2 MET 59 HE2 MET 59 11.640 -5.161 -4.994 472 HE3 MET 59 HE3 MET 59 10.203 -4.254 -5.460 473 H ASP 60 H ASP 60 15.265 -3.480 -1.705 474 HA ASP 60 HA ASP 60 15.040 -2.780 1.166 475 HB2 ASP 60 HB2 ASP 60 17.240 -2.576 0.016 476 HB3 ASP 60 HB3 ASP 60 16.538 -1.377 -1.069 477 H LEU 61 H LEU 61 13.189 -1.714 1.694 478 HA LEU 61 HA LEU 61 11.977 0.123 -0.309 479 HB2 LEU 61 HB2 LEU 61 10.964 -1.350 2.096 480 HB3 LEU 61 HB3 LEU 61 10.149 0.139 1.615 481 HG LEU 61 HG LEU 61 9.932 -0.789 -0.701 482 HD11 LEU 61 HD11 LEU 61 11.559 -2.416 -0.992 483 HD12 LEU 61 HD12 LEU 61 10.172 -3.434 -0.605 484 HD13 LEU 61 HD13 LEU 61 11.362 -3.053 0.640 485 HD21 LEU 61 HD21 LEU 61 8.115 -2.340 -0.147 486 HD22 LEU 61 HD22 LEU 61 8.106 -0.987 0.985 487 HD23 LEU 61 HD23 LEU 61 8.762 -2.548 1.481 488 H SER 62 H SER 62 14.253 0.370 1.994 489 HA SER 62 HA SER 62 13.574 2.361 3.806 490 HB2 SER 62 HB3 SER 62 16.128 2.312 2.173 491 HB3 SER 62 HB2 SER 62 15.904 3.082 3.741 492 HG SER 62 HG SER 62 16.556 1.194 4.432 493 H THR 63 H THR 63 14.294 2.754 0.350 494 HA THR 63 HA THR 63 13.718 5.656 0.558 495 HB THR 63 HB THR 63 14.392 5.694 -1.843 496 HG1 THR 63 HG1 THR 63 14.214 3.848 -2.804 497 HG21 THR 63 HG21 THR 63 16.277 4.319 0.088 498 HG22 THR 63 HG22 THR 63 16.110 6.055 -0.174 499 HG23 THR 63 HG23 THR 63 16.779 5.033 -1.445 500 H PHE 64 H PHE 64 11.473 4.216 1.163 501 HA PHE 64 HA PHE 64 9.859 4.327 -1.353 502 HB2 PHE 64 HB3 PHE 64 9.859 2.071 -0.500 503 HB3 PHE 64 HB2 PHE 64 9.513 2.633 1.134 504 HD1 PHE 64 HD1 PHE 64 8.121 2.690 -2.342 505 HD2 PHE 64 HD2 PHE 64 7.293 2.803 1.872 506 HE1 PHE 64 HE1 PHE 64 5.689 2.584 -2.817 507 HE2 PHE 64 HE2 PHE 64 4.861 2.696 1.397 508 HZ PHE 64 HZ PHE 64 4.059 2.587 -0.947 509 H ASP 65 H ASP 65 8.198 5.785 -1.379 510 HA ASP 65 HA ASP 65 7.762 7.400 1.067 511 HB2 ASP 65 HB2 ASP 65 6.945 7.747 -1.826 512 HB3 ASP 65 HB3 ASP 65 6.366 8.807 -0.543 513 H PHE 66 H PHE 66 6.279 6.479 2.422 514 HA PHE 66 HA PHE 66 4.108 4.808 1.440 515 HB2 PHE 66 HB3 PHE 66 5.177 4.508 3.684 516 HB3 PHE 66 HB2 PHE 66 4.468 6.042 4.188 517 HD1 PHE 66 HD1 PHE 66 2.021 6.292 4.415 518 HD2 PHE 66 HD2 PHE 66 3.814 2.523 3.397 519 HE1 PHE 66 HE1 PHE 66 -0.102 5.136 4.959 520 HE2 PHE 66 HE2 PHE 66 1.689 1.367 3.942 521 HZ PHE 66 HZ PHE 66 -0.270 2.672 4.723 522 H ARG 67 H ARG 67 4.386 8.137 2.659 523 HA ARG 67 HA ARG 67 1.593 8.724 2.697 524 HB2 ARG 67 HB3 ARG 67 3.850 10.654 2.083 525 HB3 ARG 67 HB2 ARG 67 2.256 11.058 2.725 526 HG2 ARG 67 HG3 ARG 67 4.171 9.199 4.152 527 HG3 ARG 67 HG2 ARG 67 4.128 10.937 4.448 528 HD2 ARG 67 HD3 ARG 67 1.688 10.734 4.981 529 HD3 ARG 67 HD2 ARG 67 1.842 8.983 4.826 530 HE ARG 67 HE ARG 67 3.641 10.331 6.757 531 HH11 ARG 67 HH21 ARG 67 0.861 8.422 6.041 532 HH12 ARG 67 HH22 ARG 67 0.718 7.788 7.645 533 HH21 ARG 67 HH11 ARG 67 3.472 9.513 8.856 534 HH22 ARG 67 HH12 ARG 67 2.197 8.405 9.239 535 H THR 68 H THR 68 3.972 8.720 0.095 536 HA THR 68 HA THR 68 1.970 9.843 -1.784 537 HB THR 68 HB THR 68 3.766 10.115 -3.321 538 HG1 THR 68 HG1 THR 68 5.424 8.812 -3.354 539 HG21 THR 68 HG21 THR 68 4.851 10.510 -0.518 540 HG22 THR 68 HG22 THR 68 3.886 11.671 -1.431 541 HG23 THR 68 HG23 THR 68 5.511 11.252 -1.975 542 H GLY 69 H GLY 69 3.153 6.821 -0.708 543 HA2 GLY 69 HA2 GLY 69 2.609 4.640 -1.389 544 HA3 GLY 69 HA3 GLY 69 1.386 5.354 -2.442 545 H LYS 70 H LYS 70 4.734 6.329 -2.688 546 HA LYS 70 HA LYS 70 5.073 4.613 -5.098 547 HB2 LYS 70 HB3 LYS 70 5.470 7.618 -4.980 548 HB3 LYS 70 HB2 LYS 70 6.003 6.597 -6.316 549 HG2 LYS 70 HG3 LYS 70 3.689 5.867 -6.706 550 HG3 LYS 70 HG2 LYS 70 3.140 6.851 -5.349 551 HD2 LYS 70 HD3 LYS 70 4.011 8.879 -6.503 552 HD3 LYS 70 HD2 LYS 70 4.458 7.874 -7.882 553 HE2 LYS 70 HE3 LYS 70 1.640 8.040 -6.785 554 HE3 LYS 70 HE2 LYS 70 2.225 9.033 -8.120 555 HZ1 LYS 70 HZ1 LYS 70 2.788 6.995 -9.315 556 HZ2 LYS 70 HZ2 LYS 70 1.130 7.067 -8.952 557 HZ3 LYS 70 HZ3 LYS 70 2.160 6.065 -8.044 558 H MET 71 H MET 71 7.358 4.403 -5.730 559 HA MET 71 HA MET 71 9.115 4.526 -3.353 560 HB2 MET 71 HB3 MET 71 8.920 2.464 -4.830 561 HB3 MET 71 HB2 MET 71 9.759 3.382 -6.082 562 HG2 MET 71 HG3 MET 71 11.668 3.728 -4.574 563 HG3 MET 71 HG2 MET 71 10.830 2.852 -3.293 564 HE1 MET 71 HE1 MET 71 10.096 0.335 -3.460 565 HE2 MET 71 HE2 MET 71 11.637 0.744 -2.708 566 HE3 MET 71 HE3 MET 71 11.525 -0.664 -3.761 567 H LEU 72 H LEU 72 10.770 5.983 -3.159 568 HA LEU 72 HA LEU 72 11.912 7.996 -3.629 569 HB2 LEU 72 HB2 LEU 72 13.359 6.343 -4.714 570 HB3 LEU 72 HB3 LEU 72 12.371 6.410 -6.174 571 HG LEU 72 HG LEU 72 12.934 8.779 -6.474 572 HD11 LEU 72 HD11 LEU 72 14.243 8.348 -3.806 573 HD12 LEU 72 HD12 LEU 72 13.242 9.694 -4.352 574 HD13 LEU 72 HD13 LEU 72 14.908 9.551 -4.910 575 HD21 LEU 72 HD21 LEU 72 15.163 8.462 -7.214 576 HD22 LEU 72 HD22 LEU 72 14.470 6.842 -7.245 577 HD23 LEU 72 HD23 LEU 72 15.522 7.327 -5.915 Start of MODEL 10 1 H1 GLY 1 H1 GLY 1 -20.221 11.515 -2.625 2 H2 GLY 1 H2 GLY 1 -19.960 11.046 -1.013 3 H3 GLY 1 H3 GLY 1 -21.535 11.058 -1.651 4 HA2 GLY 1 HA2 GLY 1 -21.179 9.222 -3.123 5 HA3 GLY 1 HA3 GLY 1 -19.456 9.259 -2.636 6 H SER 2 H SER 2 -21.272 7.076 -2.124 7 HA SER 2 HA SER 2 -19.777 6.556 0.409 8 HB2 SER 2 HB3 SER 2 -22.209 6.305 0.606 9 HB3 SER 2 HB2 SER 2 -22.223 5.187 -0.756 10 HG SER 2 HG SER 2 -21.583 3.659 0.536 11 H MET 3 H MET 3 -18.674 4.510 0.619 12 HA MET 3 HA MET 3 -17.226 2.849 -0.192 13 HB2 MET 3 HB3 MET 3 -19.590 2.587 -2.068 14 HB3 MET 3 HB2 MET 3 -18.223 1.470 -2.087 15 HG2 MET 3 HG3 MET 3 -18.620 0.919 0.275 16 HG3 MET 3 HG2 MET 3 -19.960 2.063 0.329 17 HE1 MET 3 HE1 MET 3 -20.694 -0.259 1.435 18 HE2 MET 3 HE2 MET 3 -21.933 -1.149 0.553 19 HE3 MET 3 HE3 MET 3 -22.113 0.586 0.801 20 H GLU 4 H GLU 4 -16.691 5.506 -1.096 21 HA GLU 4 HA GLU 4 -15.951 5.154 -3.953 22 HB2 GLU 4 HB3 GLU 4 -15.916 7.562 -2.114 23 HB3 GLU 4 HB2 GLU 4 -15.301 7.590 -3.766 24 HG2 GLU 4 HG2 GLU 4 -18.127 6.816 -2.987 25 HG3 GLU 4 HG3 GLU 4 -17.654 8.390 -3.629 26 H ARG 5 H ARG 5 -13.979 4.251 -4.289 27 HA ARG 5 HA ARG 5 -11.760 5.038 -2.444 28 HB2 ARG 5 HB3 ARG 5 -12.270 2.320 -3.692 29 HB3 ARG 5 HB2 ARG 5 -10.821 2.753 -2.783 30 HG2 ARG 5 HG3 ARG 5 -12.186 3.229 -0.797 31 HG3 ARG 5 HG2 ARG 5 -13.652 2.845 -1.699 32 HD2 ARG 5 HD3 ARG 5 -12.798 0.543 -2.070 33 HD3 ARG 5 HD2 ARG 5 -11.372 0.933 -1.108 34 HE ARG 5 HE ARG 5 -12.728 0.883 0.859 35 HH11 ARG 5 HH21 ARG 5 -14.515 0.601 -2.076 36 HH12 ARG 5 HH22 ARG 5 -15.979 0.110 -1.294 37 HH21 ARG 5 HH11 ARG 5 -14.632 0.243 1.899 38 HH22 ARG 5 HH12 ARG 5 -16.045 -0.094 0.957 39 H LYS 6 H LYS 6 -9.977 5.826 -3.488 40 HA LYS 6 HA LYS 6 -9.995 5.733 -6.463 41 HB2 LYS 6 HB3 LYS 6 -8.126 7.398 -4.782 42 HB3 LYS 6 HB2 LYS 6 -8.684 7.691 -6.430 43 HG2 LYS 6 HG3 LYS 6 -10.355 7.860 -3.905 44 HG3 LYS 6 HG2 LYS 6 -9.845 9.212 -4.918 45 HD2 LYS 6 HD3 LYS 6 -11.098 8.186 -6.829 46 HD3 LYS 6 HD2 LYS 6 -11.703 6.956 -5.718 47 HE2 LYS 6 HE3 LYS 6 -13.399 8.639 -5.814 48 HE3 LYS 6 HE2 LYS 6 -12.571 8.872 -4.275 49 HZ1 LYS 6 HZ1 LYS 6 -12.699 10.600 -6.563 50 HZ2 LYS 6 HZ2 LYS 6 -11.113 10.366 -6.001 51 HZ3 LYS 6 HZ3 LYS 6 -12.310 10.963 -4.953 52 H ARG 7 H ARG 7 -9.026 3.758 -6.955 53 HA ARG 7 HA ARG 7 -6.740 2.727 -5.516 54 HB2 ARG 7 HB3 ARG 7 -7.832 2.034 -8.261 55 HB3 ARG 7 HB2 ARG 7 -6.600 1.107 -7.404 56 HG2 ARG 7 HG3 ARG 7 -8.159 0.662 -5.574 57 HG3 ARG 7 HG2 ARG 7 -9.386 1.666 -6.346 58 HD2 ARG 7 HD3 ARG 7 -9.850 -0.677 -6.839 59 HD3 ARG 7 HD2 ARG 7 -9.340 0.135 -8.320 60 HE ARG 7 HE ARG 7 -7.068 -1.033 -6.996 61 HH11 ARG 7 HH21 ARG 7 -9.896 -1.732 -8.837 62 HH12 ARG 7 HH22 ARG 7 -9.245 -3.175 -9.540 63 HH21 ARG 7 HH11 ARG 7 -6.199 -2.913 -7.900 64 HH22 ARG 7 HH12 ARG 7 -7.151 -3.843 -9.009 65 H TRP 8 H TRP 8 -4.603 2.321 -6.667 66 HA TRP 8 HA TRP 8 -3.846 4.097 -8.837 67 HB2 TRP 8 HB3 TRP 8 -3.314 4.866 -5.992 68 HB3 TRP 8 HB2 TRP 8 -2.077 5.212 -7.200 69 HD1 TRP 8 HD1 TRP 8 -3.554 6.156 -9.639 70 HE1 TRP 8 HE1 TRP 8 -5.051 8.254 -9.646 71 HE3 TRP 8 HE3 TRP 8 -4.554 6.541 -4.647 72 HZ2 TRP 8 HZ2 TRP 8 -6.482 9.883 -7.780 73 HZ3 TRP 8 HZ3 TRP 8 -5.986 8.373 -3.789 74 HH2 TRP 8 HH2 TRP 8 -6.951 10.043 -5.348 75 H GLU 9 H GLU 9 -1.885 3.425 -9.725 76 HA GLU 9 HA GLU 9 -0.528 1.181 -8.290 77 HB2 GLU 9 HB3 GLU 9 -0.768 1.806 -11.246 78 HB3 GLU 9 HB2 GLU 9 0.292 0.552 -10.599 79 HG2 GLU 9 HG2 GLU 9 -1.631 -0.584 -9.586 80 HG3 GLU 9 HG3 GLU 9 -2.707 0.688 -10.163 81 H CYS 10 H CYS 10 1.685 1.319 -7.950 82 HA CYS 10 HA CYS 10 3.052 3.755 -9.019 83 HB2 CYS 10 HB3 CYS 10 2.746 4.301 -6.749 84 HB3 CYS 10 HB2 CYS 10 3.007 2.638 -6.220 85 HG CYS 10 HG CYS 10 5.263 3.722 -5.742 86 HA PRO 11 HA PRO 11 6.057 1.001 -10.724 87 HB2 PRO 11 HB3 PRO 11 8.007 3.068 -9.814 88 HB3 PRO 11 HB2 PRO 11 7.777 2.365 -11.427 89 HG2 PRO 11 HG3 PRO 11 6.939 4.828 -10.841 90 HG3 PRO 11 HG2 PRO 11 6.043 3.771 -11.943 91 HD2 PRO 11 HD3 PRO 11 5.369 4.556 -9.143 92 HD3 PRO 11 HD2 PRO 11 4.310 4.119 -10.501 93 H ALA 12 H ALA 12 6.555 2.382 -7.504 94 HA ALA 12 HA ALA 12 8.639 0.479 -6.778 95 HB1 ALA 12 HB1 ALA 12 8.000 2.863 -5.764 96 HB2 ALA 12 HB2 ALA 12 8.745 1.616 -4.767 97 HB3 ALA 12 HB3 ALA 12 7.002 1.873 -4.701 98 H LEU 13 H LEU 13 5.272 0.282 -7.098 99 HA LEU 13 HA LEU 13 4.951 -1.767 -4.991 100 HB2 LEU 13 HB2 LEU 13 3.163 -0.136 -6.683 101 HB3 LEU 13 HB3 LEU 13 2.610 -1.789 -6.415 102 HG LEU 13 HG LEU 13 2.840 -1.493 -3.986 103 HD11 LEU 13 HD11 LEU 13 4.569 0.015 -3.608 104 HD12 LEU 13 HD12 LEU 13 3.168 1.050 -3.335 105 HD13 LEU 13 HD13 LEU 13 4.025 1.114 -4.875 106 HD21 LEU 13 HD21 LEU 13 0.676 -0.929 -4.849 107 HD22 LEU 13 HD22 LEU 13 1.253 0.617 -5.470 108 HD23 LEU 13 HD23 LEU 13 1.105 0.365 -3.731 109 HA PRO 14 HA PRO 14 6.402 -4.906 -7.845 110 HB2 PRO 14 HB3 PRO 14 4.972 -6.630 -5.876 111 HB3 PRO 14 HB2 PRO 14 6.635 -6.747 -6.481 112 HG2 PRO 14 HG3 PRO 14 6.077 -5.825 -4.034 113 HG3 PRO 14 HG2 PRO 14 7.431 -5.203 -4.992 114 HD2 PRO 14 HD3 PRO 14 4.831 -3.903 -4.356 115 HD3 PRO 14 HD2 PRO 14 6.422 -3.191 -4.704 116 H GLN 15 H GLN 15 5.416 -6.027 -9.535 117 HA GLN 15 HA GLN 15 2.858 -5.438 -10.419 118 HB2 GLN 15 HB3 GLN 15 3.051 -7.920 -11.428 119 HB3 GLN 15 HB2 GLN 15 4.021 -6.581 -12.044 120 HG2 GLN 15 HG2 GLN 15 5.925 -7.239 -10.772 121 HG3 GLN 15 HG3 GLN 15 4.973 -8.345 -9.781 122 HE21 GLN 15 HE21 GLN 15 4.997 -7.952 -13.360 123 HE22 GLN 15 HE22 GLN 15 5.439 -9.559 -13.684 124 H GLY 16 H GLY 16 1.067 -5.583 -9.123 125 HA2 GLY 16 HA2 GLY 16 -0.673 -7.399 -8.631 126 HA3 GLY 16 HA3 GLY 16 0.610 -8.177 -7.704 127 H TRP 17 H TRP 17 1.577 -5.433 -6.840 128 HA TRP 17 HA TRP 17 -0.120 -5.233 -4.466 129 HB2 TRP 17 HB3 TRP 17 2.320 -3.716 -5.418 130 HB3 TRP 17 HB2 TRP 17 1.469 -3.310 -3.927 131 HD1 TRP 17 HD1 TRP 17 2.764 -6.598 -5.530 132 HE1 TRP 17 HE1 TRP 17 3.904 -7.988 -3.682 133 HE3 TRP 17 HE3 TRP 17 2.092 -3.478 -1.542 134 HZ2 TRP 17 HZ2 TRP 17 4.456 -7.801 -0.880 135 HZ3 TRP 17 HZ3 TRP 17 2.933 -4.109 0.702 136 HH2 TRP 17 HH2 TRP 17 4.113 -6.264 1.038 137 H GLU 18 H GLU 18 -1.603 -3.606 -4.023 138 HA GLU 18 HA GLU 18 -2.024 -1.571 -6.173 139 HB2 GLU 18 HB3 GLU 18 -4.128 -3.176 -4.690 140 HB3 GLU 18 HB2 GLU 18 -4.477 -1.826 -5.770 141 HG2 GLU 18 HG2 GLU 18 -3.488 -2.999 -7.651 142 HG3 GLU 18 HG3 GLU 18 -2.945 -4.306 -6.599 143 H ARG 19 H ARG 19 -2.815 0.464 -5.429 144 HA ARG 19 HA ARG 19 -2.906 0.786 -2.457 145 HB2 ARG 19 HB3 ARG 19 -0.777 1.676 -3.395 146 HB3 ARG 19 HB2 ARG 19 -1.710 2.744 -4.443 147 HG2 ARG 19 HG3 ARG 19 -2.793 3.702 -2.381 148 HG3 ARG 19 HG2 ARG 19 -1.663 2.754 -1.413 149 HD2 ARG 19 HD3 ARG 19 -0.717 4.959 -1.662 150 HD3 ARG 19 HD2 ARG 19 0.221 3.865 -2.679 151 HE ARG 19 HE ARG 19 -2.008 5.300 -3.991 152 HH11 ARG 19 HH21 ARG 19 1.352 4.954 -3.295 153 HH12 ARG 19 HH22 ARG 19 1.864 5.924 -4.634 154 HH21 ARG 19 HH11 ARG 19 -1.356 6.570 -5.743 155 HH22 ARG 19 HH12 ARG 19 0.332 6.839 -6.020 156 H GLU 20 H GLU 20 -4.397 2.391 -1.711 157 HA GLU 20 HA GLU 20 -6.044 3.832 -3.668 158 HB2 GLU 20 HB3 GLU 20 -8.148 2.795 -3.022 159 HB3 GLU 20 HB2 GLU 20 -7.048 1.536 -3.583 160 HG2 GLU 20 HG2 GLU 20 -6.415 1.087 -1.210 161 HG3 GLU 20 HG3 GLU 20 -7.621 2.268 -0.697 162 H GLU 21 H GLU 21 -6.989 5.638 -2.722 163 HA GLU 21 HA GLU 21 -6.388 6.060 0.159 164 HB2 GLU 21 HB3 GLU 21 -5.654 7.775 -1.509 165 HB3 GLU 21 HB2 GLU 21 -7.348 8.053 -1.918 166 HG2 GLU 21 HG2 GLU 21 -7.822 8.716 0.394 167 HG3 GLU 21 HG3 GLU 21 -6.150 8.388 0.847 168 H VAL 22 H VAL 22 -8.020 6.166 1.657 169 HA VAL 22 HA VAL 22 -10.819 6.445 0.683 170 HB VAL 22 HB VAL 22 -10.125 4.371 2.754 171 HG11 VAL 22 HG21 VAL 22 -12.463 4.966 2.583 172 HG12 VAL 22 HG22 VAL 22 -12.257 3.386 1.827 173 HG13 VAL 22 HG23 VAL 22 -12.419 4.829 0.826 174 HG21 VAL 22 HG13 VAL 22 -10.361 2.757 0.726 175 HG22 VAL 22 HG11 VAL 22 -8.817 3.578 0.958 176 HG23 VAL 22 HG12 VAL 22 -9.958 4.169 -0.251 177 HA PRO 23 HA PRO 23 -10.307 9.403 4.102 178 HB2 PRO 23 HB3 PRO 23 -13.106 9.940 3.228 179 HB3 PRO 23 HB2 PRO 23 -11.771 11.075 3.500 180 HG2 PRO 23 HG3 PRO 23 -12.550 10.458 1.046 181 HG3 PRO 23 HG2 PRO 23 -10.837 10.685 1.434 182 HD2 PRO 23 HD3 PRO 23 -12.331 8.119 0.976 183 HD3 PRO 23 HD2 PRO 23 -10.662 8.553 0.544 184 H ARG 24 H ARG 24 -10.738 8.911 6.220 185 HA ARG 24 HA ARG 24 -12.352 6.709 7.010 186 HB2 ARG 24 HB3 ARG 24 -11.346 9.110 8.556 187 HB3 ARG 24 HB2 ARG 24 -12.189 7.759 9.317 188 HG2 ARG 24 HG3 ARG 24 -10.485 6.200 8.472 189 HG3 ARG 24 HG2 ARG 24 -9.647 7.534 7.677 190 HD2 ARG 24 HD3 ARG 24 -9.270 8.614 9.854 191 HD3 ARG 24 HD2 ARG 24 -10.129 7.305 10.662 192 HE ARG 24 HE ARG 24 -7.939 6.296 9.058 193 HH11 ARG 24 HH21 ARG 24 -8.827 7.845 12.008 194 HH12 ARG 24 HH22 ARG 24 -7.457 7.251 12.886 195 HH21 ARG 24 HH11 ARG 24 -6.145 5.512 10.188 196 HH22 ARG 24 HH12 ARG 24 -5.939 5.931 11.856 197 H ARG 25 H ARG 25 -14.492 6.575 7.697 198 HA ARG 25 HA ARG 25 -16.106 9.083 7.443 199 HB2 ARG 25 HB3 ARG 25 -16.899 6.243 6.729 200 HB3 ARG 25 HB2 ARG 25 -17.968 7.644 6.655 201 HG2 ARG 25 HG3 ARG 25 -15.337 7.587 5.174 202 HG3 ARG 25 HG2 ARG 25 -16.814 6.935 4.460 203 HD2 ARG 25 HD3 ARG 25 -17.911 9.172 4.979 204 HD3 ARG 25 HD2 ARG 25 -16.300 9.778 5.364 205 HE ARG 25 HE ARG 25 -16.638 8.523 2.707 206 HH11 ARG 25 HH21 ARG 25 -16.416 11.324 4.705 207 HH12 ARG 25 HH22 ARG 25 -16.014 12.387 3.399 208 HH21 ARG 25 HH11 ARG 25 -16.114 9.896 0.990 209 HH22 ARG 25 HH12 ARG 25 -15.844 11.579 1.295 210 H SER 26 H SER 26 -14.898 7.054 9.663 211 HA SER 26 HA SER 26 -16.761 5.924 11.282 212 HB2 SER 26 HB3 SER 26 -14.417 6.221 11.977 213 HB3 SER 26 HB2 SER 26 -14.701 7.942 12.228 214 HG SER 26 HG SER 26 -15.989 7.487 13.930 215 H GLY 27 H GLY 27 -16.026 9.066 12.609 216 HA2 GLY 27 HA2 GLY 27 -18.707 10.133 12.047 217 HA3 GLY 27 HA3 GLY 27 -18.421 9.695 13.733 218 H LEU 28 H LEU 28 -16.949 10.939 14.965 219 HA LEU 28 HA LEU 28 -16.715 13.699 14.213 220 HB2 LEU 28 HB2 LEU 28 -16.777 13.003 16.567 221 HB3 LEU 28 HB3 LEU 28 -15.255 12.134 16.364 222 HG LEU 28 HG LEU 28 -15.191 14.960 15.504 223 HD11 LEU 28 HD11 LEU 28 -16.510 15.431 17.404 224 HD12 LEU 28 HD12 LEU 28 -14.857 15.603 17.996 225 HD13 LEU 28 HD13 LEU 28 -15.772 14.136 18.347 226 HD21 LEU 28 HD21 LEU 28 -12.987 14.817 16.254 227 HD22 LEU 28 HD22 LEU 28 -13.308 13.137 15.825 228 HD23 LEU 28 HD23 LEU 28 -13.384 13.647 17.511 229 H SER 29 H SER 29 -14.356 11.026 14.278 230 HA SER 29 HA SER 29 -12.181 12.688 13.307 231 HB2 SER 29 HB3 SER 29 -12.591 9.722 13.646 232 HB3 SER 29 HB2 SER 29 -11.174 10.341 12.800 233 HG SER 29 HG SER 29 -11.926 10.571 15.484 234 H ALA 30 H ALA 30 -14.815 10.996 11.835 235 HA ALA 30 HA ALA 30 -14.009 10.260 9.322 236 HB1 ALA 30 HB1 ALA 30 -16.371 10.264 9.989 237 HB2 ALA 30 HB2 ALA 30 -16.177 11.113 8.456 238 HB3 ALA 30 HB3 ALA 30 -16.396 12.026 9.950 239 H GLY 31 H GLY 31 -13.046 11.234 7.585 240 HA2 GLY 31 HA2 GLY 31 -13.015 13.356 6.180 241 HA3 GLY 31 HA3 GLY 31 -12.734 14.209 7.698 242 H HIS 32 H HIS 32 -10.895 12.399 8.875 243 HA HIS 32 HA HIS 32 -8.432 13.276 7.783 244 HB2 HIS 32 HB2 HIS 32 -9.093 10.898 9.541 245 HB3 HIS 32 HB3 HIS 32 -7.442 11.379 9.149 246 HD1 HIS 32 HD1 HIS 32 -7.557 14.390 9.369 247 HD2 HIS 32 HD2 HIS 32 -9.465 11.884 12.104 248 HE1 HIS 32 HE1 HIS 32 -7.874 15.748 11.486 249 HE2 HIS 32 HE2 HIS 32 -9.034 14.232 13.156 250 H ARG 33 H ARG 33 -8.058 12.852 5.621 251 HA ARG 33 HA ARG 33 -8.810 10.557 4.170 252 HB2 ARG 33 HB3 ARG 33 -6.410 12.380 3.840 253 HB3 ARG 33 HB2 ARG 33 -6.862 11.146 2.664 254 HG2 ARG 33 HG3 ARG 33 -9.073 12.197 2.394 255 HG3 ARG 33 HG2 ARG 33 -8.638 13.426 3.582 256 HD2 ARG 33 HD3 ARG 33 -6.772 14.161 2.141 257 HD3 ARG 33 HD2 ARG 33 -7.216 12.940 0.948 258 HE ARG 33 HE ARG 33 -9.534 14.461 1.374 259 HH11 ARG 33 HH21 ARG 33 -6.270 14.928 0.363 260 HH12 ARG 33 HH22 ARG 33 -6.643 16.263 -0.675 261 HH21 ARG 33 HH11 ARG 33 -10.039 16.201 0.022 262 HH22 ARG 33 HH12 ARG 33 -8.776 16.984 -0.869 263 H ASP 34 H ASP 34 -8.050 8.483 4.122 264 HA ASP 34 HA ASP 34 -5.466 7.931 5.526 265 HB2 ASP 34 HB2 ASP 34 -7.464 7.201 6.850 266 HB3 ASP 34 HB3 ASP 34 -7.920 6.148 5.511 267 H VAL 35 H VAL 35 -4.199 6.235 4.604 268 HA VAL 35 HA VAL 35 -5.053 5.462 1.842 269 HB VAL 35 HB VAL 35 -2.248 5.887 2.919 270 HG11 VAL 35 HG21 VAL 35 -1.578 5.577 0.555 271 HG12 VAL 35 HG22 VAL 35 -3.254 5.223 0.134 272 HG13 VAL 35 HG23 VAL 35 -2.362 4.132 1.194 273 HG21 VAL 35 HG13 VAL 35 -3.518 7.987 2.596 274 HG22 VAL 35 HG11 VAL 35 -3.905 7.494 0.947 275 HG23 VAL 35 HG12 VAL 35 -2.234 7.832 1.398 276 H PHE 36 H PHE 36 -5.101 3.291 1.404 277 HA PHE 36 HA PHE 36 -3.864 1.464 3.427 278 HB2 PHE 36 HB3 PHE 36 -6.456 1.141 1.888 279 HB3 PHE 36 HB2 PHE 36 -5.716 -0.134 2.857 280 HD1 PHE 36 HD2 PHE 36 -5.571 0.057 5.305 281 HD2 PHE 36 HD1 PHE 36 -7.485 3.083 2.931 282 HE1 PHE 36 HE2 PHE 36 -6.612 1.002 7.348 283 HE2 PHE 36 HE1 PHE 36 -8.524 4.028 4.974 284 HZ PHE 36 HZ PHE 36 -8.089 2.988 7.183 285 H TYR 37 H TYR 37 -2.803 -0.376 2.590 286 HA TYR 37 HA TYR 37 -2.429 -0.353 -0.379 287 HB2 TYR 37 HB3 TYR 37 -0.519 -0.971 1.878 288 HB3 TYR 37 HB2 TYR 37 -0.208 -1.514 0.228 289 HD1 TYR 37 HD1 TYR 37 -0.975 1.537 2.248 290 HD2 TYR 37 HD2 TYR 37 0.720 -0.047 -1.366 291 HE1 TYR 37 HE1 TYR 37 -0.114 3.789 1.666 292 HE2 TYR 37 HE2 TYR 37 1.582 2.205 -1.949 293 HH TYR 37 HH TYR 37 1.055 4.990 0.219 294 H TYR 38 H TYR 38 -2.311 -2.422 -1.421 295 HA TYR 38 HA TYR 38 -3.273 -4.705 0.258 296 HB2 TYR 38 HB3 TYR 38 -4.162 -3.860 -2.511 297 HB3 TYR 38 HB2 TYR 38 -4.523 -5.443 -1.824 298 HD1 TYR 38 HD1 TYR 38 -4.961 -1.780 -1.308 299 HD2 TYR 38 HD2 TYR 38 -6.260 -5.729 -0.221 300 HE1 TYR 38 HE1 TYR 38 -6.882 -0.811 -0.075 301 HE2 TYR 38 HE2 TYR 38 -8.181 -4.758 1.011 302 HH TYR 38 HH TYR 38 -8.903 -1.312 0.868 303 H SER 39 H SER 39 -2.183 -6.621 -0.056 304 HA SER 39 HA SER 39 0.081 -6.551 -1.981 305 HB2 SER 39 HB3 SER 39 1.215 -7.792 -0.463 306 HB3 SER 39 HB2 SER 39 -0.089 -7.398 0.654 307 HG SER 39 HG SER 39 -0.304 -9.544 -1.166 308 HA PRO 40 HA PRO 40 -1.291 -9.660 -4.770 309 HB2 PRO 40 HB3 PRO 40 0.495 -11.737 -3.597 310 HB3 PRO 40 HB2 PRO 40 0.396 -11.146 -5.266 311 HG2 PRO 40 HG3 PRO 40 2.412 -10.455 -3.689 312 HG3 PRO 40 HG2 PRO 40 1.707 -9.306 -4.836 313 HD2 PRO 40 HD3 PRO 40 1.347 -9.457 -1.857 314 HD3 PRO 40 HD2 PRO 40 1.431 -8.018 -2.898 315 H SER 41 H SER 41 -1.101 -10.768 -1.422 316 HA SER 41 HA SER 41 -3.047 -12.929 -1.909 317 HB2 SER 41 HB3 SER 41 -2.760 -13.428 0.466 318 HB3 SER 41 HB2 SER 41 -1.180 -13.217 -0.280 319 HG SER 41 HG SER 41 -0.932 -11.344 0.742 320 H GLY 42 H GLY 42 -3.348 -9.692 -1.722 321 HA2 GLY 42 HA2 GLY 42 -5.305 -8.392 -1.464 322 HA3 GLY 42 HA3 GLY 42 -6.161 -9.853 -0.968 323 H LYS 43 H LYS 43 -3.216 -9.255 0.690 324 HA LYS 43 HA LYS 43 -4.665 -8.871 3.200 325 HB2 LYS 43 HB3 LYS 43 -2.424 -10.150 2.793 326 HB3 LYS 43 HB2 LYS 43 -1.687 -8.549 2.892 327 HG2 LYS 43 HG3 LYS 43 -3.655 -9.238 5.015 328 HG3 LYS 43 HG2 LYS 43 -2.109 -10.085 5.068 329 HD2 LYS 43 HD3 LYS 43 -2.152 -7.108 4.667 330 HD3 LYS 43 HD2 LYS 43 -2.348 -7.774 6.289 331 HE2 LYS 43 HE3 LYS 43 -0.139 -8.910 4.655 332 HE3 LYS 43 HE2 LYS 43 0.073 -7.252 5.218 333 HZ1 LYS 43 HZ1 LYS 43 -0.731 -9.475 7.004 334 HZ2 LYS 43 HZ2 LYS 43 -0.208 -7.921 7.449 335 HZ3 LYS 43 HZ3 LYS 43 0.885 -9.025 6.763 336 H LYS 44 H LYS 44 -5.212 -6.914 4.030 337 HA LYS 44 HA LYS 44 -4.134 -4.477 2.742 338 HB2 LYS 44 HB3 LYS 44 -5.892 -3.303 4.005 339 HB3 LYS 44 HB2 LYS 44 -6.576 -4.664 3.114 340 HG2 LYS 44 HG3 LYS 44 -6.414 -6.054 5.176 341 HG3 LYS 44 HG2 LYS 44 -5.840 -4.636 6.056 342 HD2 LYS 44 HD3 LYS 44 -7.932 -3.446 5.500 343 HD3 LYS 44 HD2 LYS 44 -8.509 -4.870 4.633 344 HE2 LYS 44 HE3 LYS 44 -7.692 -4.962 7.543 345 HE3 LYS 44 HE2 LYS 44 -9.345 -4.623 7.033 346 HZ1 LYS 44 HZ1 LYS 44 -8.705 -6.800 5.574 347 HZ2 LYS 44 HZ2 LYS 44 -9.572 -6.827 7.035 348 HZ3 LYS 44 HZ3 LYS 44 -7.896 -7.110 7.032 349 H PHE 45 H PHE 45 -2.718 -3.101 3.763 350 HA PHE 45 HA PHE 45 -2.232 -3.475 6.674 351 HB2 PHE 45 HB3 PHE 45 0.287 -3.191 6.050 352 HB3 PHE 45 HB2 PHE 45 -0.455 -4.779 5.854 353 HD1 PHE 45 HD2 PHE 45 -1.482 -5.326 3.533 354 HD2 PHE 45 HD1 PHE 45 1.308 -2.132 4.216 355 HE1 PHE 45 HE2 PHE 45 -0.938 -5.283 1.114 356 HE2 PHE 45 HE1 PHE 45 1.851 -2.091 1.797 357 HZ PHE 45 HZ PHE 45 0.728 -3.666 0.246 358 H ARG 46 H ARG 46 -1.524 -1.565 7.713 359 HA ARG 46 HA ARG 46 -1.271 0.849 5.973 360 HB2 ARG 46 HB3 ARG 46 -3.554 0.600 7.111 361 HB3 ARG 46 HB2 ARG 46 -2.703 0.862 8.636 362 HG2 ARG 46 HG3 ARG 46 -1.694 2.941 7.339 363 HG3 ARG 46 HG2 ARG 46 -3.157 2.766 6.369 364 HD2 ARG 46 HD3 ARG 46 -3.101 3.004 9.392 365 HD3 ARG 46 HD2 ARG 46 -3.491 4.317 8.282 366 HE ARG 46 HE ARG 46 -5.265 2.326 7.562 367 HH11 ARG 46 HH21 ARG 46 -4.338 3.881 10.495 368 HH12 ARG 46 HH22 ARG 46 -5.894 3.708 11.235 369 HH21 ARG 46 HH11 ARG 46 -7.302 2.091 8.511 370 HH22 ARG 46 HH12 ARG 46 -7.573 2.694 10.112 371 H SER 47 H SER 47 1.038 -0.175 6.659 372 HA SER 47 HA SER 47 2.116 1.701 8.622 373 HB2 SER 47 HB3 SER 47 2.827 -1.110 9.276 374 HB3 SER 47 HB2 SER 47 2.632 0.277 10.343 375 HG SER 47 HG SER 47 0.346 0.084 9.935 376 H LYS 48 H LYS 48 4.314 2.048 8.247 377 HA LYS 48 HA LYS 48 5.380 1.082 5.741 378 HB2 LYS 48 HB3 LYS 48 6.012 3.284 6.550 379 HB3 LYS 48 HB2 LYS 48 6.679 2.591 8.029 380 HG2 LYS 48 HG3 LYS 48 8.420 3.139 6.300 381 HG3 LYS 48 HG2 LYS 48 8.410 1.443 6.784 382 HD2 LYS 48 HD3 LYS 48 7.426 0.740 4.779 383 HD3 LYS 48 HD2 LYS 48 6.768 2.341 4.429 384 HE2 LYS 48 HE3 LYS 48 9.719 1.641 4.412 385 HE3 LYS 48 HE2 LYS 48 8.708 1.791 2.974 386 HZ1 LYS 48 HZ1 LYS 48 8.229 4.085 3.621 387 HZ2 LYS 48 HZ2 LYS 48 9.892 3.835 3.382 388 HZ3 LYS 48 HZ3 LYS 48 9.262 3.931 4.957 389 HA PRO 49 HA PRO 49 8.175 -1.426 8.920 390 HB2 PRO 49 HB3 PRO 49 6.050 -2.020 10.905 391 HB3 PRO 49 HB2 PRO 49 7.748 -1.581 11.167 392 HG2 PRO 49 HG3 PRO 49 5.798 0.140 11.675 393 HG3 PRO 49 HG2 PRO 49 7.337 0.672 10.979 394 HD2 PRO 49 HD3 PRO 49 4.693 0.268 9.594 395 HD3 PRO 49 HD2 PRO 49 5.898 1.550 9.349 396 H GLN 50 H GLN 50 4.694 -2.296 9.017 397 HA GLN 50 HA GLN 50 5.131 -5.101 8.622 398 HB2 GLN 50 HB3 GLN 50 2.723 -3.350 8.047 399 HB3 GLN 50 HB2 GLN 50 2.706 -5.111 7.936 400 HG2 GLN 50 HG2 GLN 50 3.318 -5.304 10.293 401 HG3 GLN 50 HG3 GLN 50 3.453 -3.549 10.426 402 HE21 GLN 50 HE21 GLN 50 1.689 -4.250 12.199 403 HE22 GLN 50 HE22 GLN 50 0.080 -4.158 11.670 404 H LEU 51 H LEU 51 4.706 -2.400 6.382 405 HA LEU 51 HA LEU 51 4.338 -3.935 4.002 406 HB2 LEU 51 HB2 LEU 51 4.117 -1.371 4.376 407 HB3 LEU 51 HB3 LEU 51 5.852 -1.328 4.057 408 HG LEU 51 HG LEU 51 3.944 -2.736 2.189 409 HD11 LEU 51 HD11 LEU 51 3.836 -0.701 0.852 410 HD12 LEU 51 HD12 LEU 51 4.865 0.148 2.005 411 HD13 LEU 51 HD13 LEU 51 3.241 -0.352 2.476 412 HD21 LEU 51 HD21 LEU 51 5.910 -1.890 0.635 413 HD22 LEU 51 HD22 LEU 51 6.125 -3.335 1.624 414 HD23 LEU 51 HD23 LEU 51 6.795 -1.794 2.158 415 H ALA 52 H ALA 52 7.314 -2.601 5.472 416 HA ALA 52 HA ALA 52 9.059 -3.786 3.499 417 HB1 ALA 52 HB1 ALA 52 9.934 -1.932 4.720 418 HB2 ALA 52 HB2 ALA 52 10.829 -3.336 5.301 419 HB3 ALA 52 HB3 ALA 52 9.518 -2.664 6.270 420 H ARG 53 H ARG 53 8.027 -4.763 6.767 421 HA ARG 53 HA ARG 53 9.638 -7.092 6.983 422 HB2 ARG 53 HB3 ARG 53 8.306 -6.131 8.853 423 HB3 ARG 53 HB2 ARG 53 6.831 -6.679 8.057 424 HG2 ARG 53 HG3 ARG 53 7.680 -9.016 8.149 425 HG3 ARG 53 HG2 ARG 53 9.102 -8.443 9.022 426 HD2 ARG 53 HD3 ARG 53 7.468 -9.274 10.629 427 HD3 ARG 53 HD2 ARG 53 7.593 -7.522 10.789 428 HE ARG 53 HE ARG 53 5.471 -8.401 8.972 429 HH11 ARG 53 HH21 ARG 53 6.448 -7.633 12.188 430 HH12 ARG 53 HH22 ARG 53 4.846 -7.253 12.725 431 HH21 ARG 53 HH11 ARG 53 3.374 -7.909 9.657 432 HH22 ARG 53 HH12 ARG 53 3.105 -7.409 11.293 433 H TYR 54 H TYR 54 6.430 -6.619 5.514 434 HA TYR 54 HA TYR 54 5.896 -9.351 4.923 435 HB2 TYR 54 HB3 TYR 54 4.233 -7.499 4.711 436 HB3 TYR 54 HB2 TYR 54 5.099 -6.923 3.287 437 HD1 TYR 54 HD1 TYR 54 5.192 -8.299 1.226 438 HD2 TYR 54 HD2 TYR 54 2.856 -9.481 4.631 439 HE1 TYR 54 HE1 TYR 54 3.962 -9.930 -0.184 440 HE2 TYR 54 HE2 TYR 54 1.627 -11.110 3.222 441 HH TYR 54 HH TYR 54 2.136 -12.401 1.035 442 H LEU 55 H LEU 55 7.308 -6.835 2.795 443 HA LEU 55 HA LEU 55 7.964 -8.643 0.676 444 HB2 LEU 55 HB2 LEU 55 8.978 -5.917 1.479 445 HB3 LEU 55 HB3 LEU 55 9.687 -6.785 0.118 446 HG LEU 55 HG LEU 55 6.723 -6.229 0.404 447 HD11 LEU 55 HD11 LEU 55 7.469 -4.090 -0.020 448 HD12 LEU 55 HD12 LEU 55 7.457 -4.703 -1.673 449 HD13 LEU 55 HD13 LEU 55 8.968 -4.649 -0.765 450 HD21 LEU 55 HD21 LEU 55 8.462 -7.659 -1.540 451 HD22 LEU 55 HD22 LEU 55 7.192 -6.645 -2.229 452 HD23 LEU 55 HD23 LEU 55 6.775 -7.949 -1.116 453 H GLY 56 H GLY 56 9.839 -7.474 3.471 454 HA2 GLY 56 HA2 GLY 56 11.673 -8.491 4.541 455 HA3 GLY 56 HA3 GLY 56 11.421 -9.905 3.513 456 H GLY 57 H GLY 57 13.503 -10.227 2.752 457 HA2 GLY 57 HA2 GLY 57 15.083 -7.956 1.754 458 HA3 GLY 57 HA3 GLY 57 15.600 -9.642 1.787 459 H SER 58 H SER 58 12.565 -9.680 0.509 460 HA SER 58 HA SER 58 13.486 -10.321 -2.137 461 HB2 SER 58 HB3 SER 58 11.076 -10.366 -2.717 462 HB3 SER 58 HB2 SER 58 11.399 -11.246 -1.224 463 HG SER 58 HG SER 58 10.047 -9.927 -0.321 464 H MET 59 H MET 59 12.251 -7.370 -0.652 465 HA MET 59 HA MET 59 13.098 -5.888 -3.081 466 HB2 MET 59 HB3 MET 59 10.321 -5.970 -1.932 467 HB3 MET 59 HB2 MET 59 10.902 -4.493 -2.702 468 HG2 MET 59 HG3 MET 59 11.099 -7.192 -4.049 469 HG3 MET 59 HG2 MET 59 9.683 -6.155 -4.224 470 HE1 MET 59 HE1 MET 59 10.102 -3.482 -4.596 471 HE2 MET 59 HE2 MET 59 9.433 -4.424 -5.925 472 HE3 MET 59 HE3 MET 59 10.676 -3.218 -6.248 473 H ASP 60 H ASP 60 14.080 -3.967 -2.542 474 HA ASP 60 HA ASP 60 14.233 -3.304 0.341 475 HB2 ASP 60 HB2 ASP 60 16.037 -1.738 -0.395 476 HB3 ASP 60 HB3 ASP 60 16.346 -3.405 -0.878 477 H LEU 61 H LEU 61 12.674 -1.938 1.069 478 HA LEU 61 HA LEU 61 11.806 0.271 -0.754 479 HB2 LEU 61 HB2 LEU 61 10.298 -1.507 1.114 480 HB3 LEU 61 HB3 LEU 61 9.759 0.167 0.965 481 HG LEU 61 HG LEU 61 9.601 -0.087 -1.477 482 HD11 LEU 61 HD11 LEU 61 10.814 -2.751 -0.822 483 HD12 LEU 61 HD12 LEU 61 11.196 -1.643 -2.140 484 HD13 LEU 61 HD13 LEU 61 9.733 -2.624 -2.210 485 HD21 LEU 61 HD21 LEU 61 7.534 -0.582 -0.510 486 HD22 LEU 61 HD22 LEU 61 8.157 -1.997 0.338 487 HD23 LEU 61 HD23 LEU 61 7.861 -2.071 -1.399 488 H SER 62 H SER 62 13.905 -0.110 1.570 489 HA SER 62 HA SER 62 13.237 1.439 3.797 490 HB2 SER 62 HB3 SER 62 15.634 2.005 3.948 491 HB3 SER 62 HB2 SER 62 15.417 0.309 3.524 492 HG SER 62 HG SER 62 15.615 1.064 1.283 493 H THR 63 H THR 63 14.044 2.516 0.529 494 HA THR 63 HA THR 63 13.730 5.346 1.401 495 HB THR 63 HB THR 63 14.552 5.862 -0.915 496 HG1 THR 63 HG1 THR 63 13.984 3.289 -1.228 497 HG21 THR 63 HG21 THR 63 16.856 5.213 -0.481 498 HG22 THR 63 HG22 THR 63 16.324 3.950 0.629 499 HG23 THR 63 HG23 THR 63 16.086 5.647 1.046 500 H PHE 64 H PHE 64 11.422 3.591 1.299 501 HA PHE 64 HA PHE 64 9.976 4.625 -1.099 502 HB2 PHE 64 HB3 PHE 64 9.851 2.208 -0.865 503 HB3 PHE 64 HB2 PHE 64 9.323 2.362 0.812 504 HD1 PHE 64 HD1 PHE 64 8.374 3.336 -2.676 505 HD2 PHE 64 HD2 PHE 64 7.035 2.525 1.323 506 HE1 PHE 64 HE1 PHE 64 6.019 3.505 -3.431 507 HE2 PHE 64 HE2 PHE 64 4.678 2.696 0.568 508 HZ PHE 64 HZ PHE 64 4.170 3.186 -1.808 509 H ASP 65 H ASP 65 8.466 6.200 -0.804 510 HA ASP 65 HA ASP 65 7.934 7.138 1.937 511 HB2 ASP 65 HB2 ASP 65 8.395 8.696 -0.007 512 HB3 ASP 65 HB3 ASP 65 6.825 8.229 -0.663 513 H PHE 66 H PHE 66 6.250 6.314 3.069 514 HA PHE 66 HA PHE 66 4.160 4.774 1.710 515 HB2 PHE 66 HB3 PHE 66 5.095 4.102 3.931 516 HB3 PHE 66 HB2 PHE 66 4.381 5.554 4.633 517 HD1 PHE 66 HD2 PHE 66 3.663 2.287 3.063 518 HD2 PHE 66 HD1 PHE 66 1.991 5.751 4.974 519 HE1 PHE 66 HE2 PHE 66 1.496 1.105 3.308 520 HE2 PHE 66 HE1 PHE 66 -0.176 4.570 5.217 521 HZ PHE 66 HZ PHE 66 -0.424 2.248 4.385 522 H ARG 67 H ARG 67 4.437 7.899 3.364 523 HA ARG 67 HA ARG 67 1.639 8.505 3.413 524 HB2 ARG 67 HB3 ARG 67 4.010 10.391 3.245 525 HB3 ARG 67 HB2 ARG 67 2.368 10.848 3.698 526 HG2 ARG 67 HG3 ARG 67 3.978 8.750 5.171 527 HG3 ARG 67 HG2 ARG 67 3.917 10.444 5.656 528 HD2 ARG 67 HD3 ARG 67 1.362 10.186 5.654 529 HD3 ARG 67 HD2 ARG 67 1.651 8.448 5.573 530 HE ARG 67 HE ARG 67 2.971 9.963 7.758 531 HH11 ARG 67 HH21 ARG 67 0.571 7.775 6.598 532 HH12 ARG 67 HH22 ARG 67 0.214 7.129 8.164 533 HH21 ARG 67 HH11 ARG 67 2.517 9.131 9.810 534 HH22 ARG 67 HH12 ARG 67 1.316 7.897 9.983 535 H THR 68 H THR 68 4.179 9.201 1.011 536 HA THR 68 HA THR 68 2.118 10.312 -0.814 537 HB THR 68 HB THR 68 4.007 10.998 -2.207 538 HG1 THR 68 HG1 THR 68 5.994 10.307 -0.532 539 HG21 THR 68 HG21 THR 68 4.373 11.526 0.751 540 HG22 THR 68 HG22 THR 68 3.474 12.509 -0.404 541 HG23 THR 68 HG23 THR 68 5.231 12.408 -0.513 542 H GLY 69 H GLY 69 3.922 7.419 -0.243 543 HA2 GLY 69 HA2 GLY 69 3.794 5.332 -1.314 544 HA3 GLY 69 HA3 GLY 69 2.426 5.968 -2.229 545 H LYS 70 H LYS 70 5.896 6.843 -2.070 546 HA LYS 70 HA LYS 70 6.195 6.096 -4.912 547 HB2 LYS 70 HB3 LYS 70 6.871 8.258 -5.663 548 HB3 LYS 70 HB2 LYS 70 5.375 8.520 -4.767 549 HG2 LYS 70 HG3 LYS 70 6.789 9.016 -2.729 550 HG3 LYS 70 HG2 LYS 70 8.202 8.981 -3.785 551 HD2 LYS 70 HD3 LYS 70 5.808 10.754 -4.314 552 HD3 LYS 70 HD2 LYS 70 7.206 11.288 -3.378 553 HE2 LYS 70 HE3 LYS 70 8.636 10.561 -5.374 554 HE3 LYS 70 HE2 LYS 70 7.126 10.445 -6.280 555 HZ1 LYS 70 HZ1 LYS 70 8.532 12.670 -6.140 556 HZ2 LYS 70 HZ2 LYS 70 7.568 12.891 -4.759 557 HZ3 LYS 70 HZ3 LYS 70 6.841 12.672 -6.279 558 H MET 71 H MET 71 8.429 5.864 -5.511 559 HA MET 71 HA MET 71 10.206 5.504 -3.162 560 HB2 MET 71 HB3 MET 71 9.933 3.647 -4.811 561 HB3 MET 71 HB2 MET 71 10.635 4.687 -6.051 562 HG2 MET 71 HG3 MET 71 12.711 4.868 -4.769 563 HG3 MET 71 HG2 MET 71 12.013 3.907 -3.465 564 HE1 MET 71 HE1 MET 71 12.080 0.378 -4.483 565 HE2 MET 71 HE2 MET 71 10.903 1.565 -3.924 566 HE3 MET 71 HE3 MET 71 12.514 1.530 -3.211 567 H LEU 72 H LEU 72 11.747 7.001 -2.717 568 HA LEU 72 HA LEU 72 12.896 8.591 -4.947 569 HB2 LEU 72 HB2 LEU 72 11.035 9.938 -4.018 570 HB3 LEU 72 HB3 LEU 72 11.762 9.819 -2.416 571 HG LEU 72 HG LEU 72 13.804 10.933 -3.270 572 HD11 LEU 72 HD11 LEU 72 12.255 10.728 -5.824 573 HD12 LEU 72 HD12 LEU 72 13.983 10.508 -5.542 574 HD13 LEU 72 HD13 LEU 72 13.296 12.133 -5.588 575 HD21 LEU 72 HD21 LEU 72 12.810 13.175 -3.546 576 HD22 LEU 72 HD22 LEU 72 11.980 12.280 -2.273 577 HD23 LEU 72 HD23 LEU 72 11.237 12.443 -3.864 Start of MODEL 11 1 H1 GLY 1 H1 GLY 1 -21.407 9.350 -1.448 2 H2 GLY 1 H2 GLY 1 -20.872 10.956 -1.325 3 H3 GLY 1 H3 GLY 1 -19.810 9.677 -0.978 4 HA2 GLY 1 HA2 GLY 1 -20.284 11.036 -3.464 5 HA3 GLY 1 HA3 GLY 1 -19.251 9.612 -3.138 6 H SER 2 H SER 2 -20.319 9.820 -5.566 7 HA SER 2 HA SER 2 -21.834 7.389 -5.778 8 HB2 SER 2 HB3 SER 2 -20.091 8.861 -7.768 9 HB3 SER 2 HB2 SER 2 -21.060 7.451 -8.187 10 HG SER 2 HG SER 2 -22.034 9.620 -8.483 11 H MET 3 H MET 3 -18.501 7.830 -6.997 12 HA MET 3 HA MET 3 -17.977 4.981 -6.385 13 HB2 MET 3 HB3 MET 3 -16.357 7.070 -7.870 14 HB3 MET 3 HB2 MET 3 -15.852 5.396 -7.645 15 HG2 MET 3 HG3 MET 3 -17.918 4.635 -8.790 16 HG3 MET 3 HG2 MET 3 -18.370 6.319 -9.060 17 HE1 MET 3 HE1 MET 3 -17.434 7.886 -10.425 18 HE2 MET 3 HE2 MET 3 -16.163 7.717 -11.632 19 HE3 MET 3 HE3 MET 3 -15.735 7.881 -9.930 20 H GLU 4 H GLU 4 -17.052 4.465 -4.467 21 HA GLU 4 HA GLU 4 -15.506 6.578 -3.036 22 HB2 GLU 4 HB3 GLU 4 -15.901 5.209 -1.013 23 HB3 GLU 4 HB2 GLU 4 -17.421 5.643 -1.797 24 HG2 GLU 4 HG2 GLU 4 -17.529 3.451 -2.875 25 HG3 GLU 4 HG3 GLU 4 -15.963 3.012 -2.193 26 H ARG 5 H ARG 5 -13.617 5.680 -1.721 27 HA ARG 5 HA ARG 5 -11.541 4.589 -1.695 28 HB2 ARG 5 HB3 ARG 5 -13.155 2.609 -1.444 29 HB3 ARG 5 HB2 ARG 5 -12.917 2.337 -3.170 30 HG2 ARG 5 HG3 ARG 5 -10.494 2.132 -2.823 31 HG3 ARG 5 HG2 ARG 5 -10.703 2.446 -1.100 32 HD2 ARG 5 HD3 ARG 5 -10.518 0.038 -1.466 33 HD3 ARG 5 HD2 ARG 5 -12.157 0.427 -0.942 34 HE ARG 5 HE ARG 5 -12.949 -0.130 -3.123 35 HH11 ARG 5 HH21 ARG 5 -9.512 -0.055 -2.877 36 HH12 ARG 5 HH22 ARG 5 -9.252 -0.821 -4.409 37 HH21 ARG 5 HH11 ARG 5 -12.631 -1.130 -5.126 38 HH22 ARG 5 HH12 ARG 5 -11.018 -1.429 -5.682 39 H LYS 6 H LYS 6 -10.190 5.683 -3.071 40 HA LYS 6 HA LYS 6 -10.494 5.215 -6.000 41 HB2 LYS 6 HB3 LYS 6 -8.907 7.315 -4.492 42 HB3 LYS 6 HB2 LYS 6 -9.020 7.193 -6.248 43 HG2 LYS 6 HG3 LYS 6 -11.158 8.008 -6.304 44 HG3 LYS 6 HG2 LYS 6 -11.600 7.237 -4.781 45 HD2 LYS 6 HD3 LYS 6 -10.328 8.927 -3.532 46 HD3 LYS 6 HD2 LYS 6 -9.834 9.687 -5.045 47 HE2 LYS 6 HE3 LYS 6 -12.199 10.143 -5.590 48 HE3 LYS 6 HE2 LYS 6 -12.691 9.392 -4.071 49 HZ1 LYS 6 HZ1 LYS 6 -11.820 11.098 -2.836 50 HZ2 LYS 6 HZ2 LYS 6 -12.369 11.943 -4.204 51 HZ3 LYS 6 HZ3 LYS 6 -10.719 11.571 -4.037 52 H ARG 7 H ARG 7 -9.297 3.453 -6.592 53 HA ARG 7 HA ARG 7 -6.937 2.592 -5.165 54 HB2 ARG 7 HB3 ARG 7 -6.672 1.252 -7.447 55 HB3 ARG 7 HB2 ARG 7 -7.920 0.815 -6.282 56 HG2 ARG 7 HG3 ARG 7 -9.613 1.950 -7.507 57 HG3 ARG 7 HG2 ARG 7 -8.429 2.809 -8.493 58 HD2 ARG 7 HD3 ARG 7 -9.426 0.971 -9.780 59 HD3 ARG 7 HD2 ARG 7 -7.716 0.651 -9.488 60 HE ARG 7 HE ARG 7 -9.243 -0.538 -7.388 61 HH11 ARG 7 HH21 ARG 7 -8.573 -0.775 -10.761 62 HH12 ARG 7 HH22 ARG 7 -8.842 -2.486 -10.830 63 HH21 ARG 7 HH11 ARG 7 -9.597 -2.770 -7.457 64 HH22 ARG 7 HH12 ARG 7 -9.422 -3.615 -8.959 65 H TRP 8 H TRP 8 -4.773 2.366 -6.326 66 HA TRP 8 HA TRP 8 -4.261 4.543 -8.279 67 HB2 TRP 8 HB3 TRP 8 -2.596 4.200 -5.770 68 HB3 TRP 8 HB2 TRP 8 -2.444 5.469 -6.985 69 HD1 TRP 8 HD1 TRP 8 -4.172 4.648 -3.809 70 HE1 TRP 8 HE1 TRP 8 -5.914 6.462 -3.242 71 HE3 TRP 8 HE3 TRP 8 -4.289 7.177 -8.245 72 HZ2 TRP 8 HZ2 TRP 8 -7.189 8.692 -4.503 73 HZ3 TRP 8 HZ3 TRP 8 -5.774 9.140 -8.535 74 HH2 TRP 8 HH2 TRP 8 -7.223 9.901 -6.671 75 H GLU 9 H GLU 9 -2.904 3.813 -9.853 76 HA GLU 9 HA GLU 9 -1.976 1.134 -9.948 77 HB2 GLU 9 HB3 GLU 9 -0.702 1.807 -11.901 78 HB3 GLU 9 HB2 GLU 9 -2.241 2.668 -11.925 79 HG2 GLU 9 HG2 GLU 9 -1.104 4.618 -10.829 80 HG3 GLU 9 HG3 GLU 9 0.429 3.762 -11.000 81 H CYS 10 H CYS 10 -0.046 0.177 -9.329 82 HA CYS 10 HA CYS 10 1.530 1.516 -7.306 83 HB2 CYS 10 HB3 CYS 10 3.033 -0.656 -7.980 84 HB3 CYS 10 HB2 CYS 10 1.659 -0.723 -6.876 85 HG CYS 10 HG CYS 10 1.750 -1.985 -9.628 86 HA PRO 11 HA PRO 11 4.269 3.500 -10.213 87 HB2 PRO 11 HB3 PRO 11 5.938 4.611 -8.354 88 HB3 PRO 11 HB2 PRO 11 4.330 5.261 -8.729 89 HG2 PRO 11 HG3 PRO 11 5.212 3.600 -6.431 90 HG3 PRO 11 HG2 PRO 11 4.031 4.919 -6.488 91 HD2 PRO 11 HD3 PRO 11 3.359 2.238 -6.434 92 HD3 PRO 11 HD2 PRO 11 2.310 3.514 -7.088 93 H ALA 12 H ALA 12 5.980 2.142 -7.363 94 HA ALA 12 HA ALA 12 7.884 0.861 -9.285 95 HB1 ALA 12 HB1 ALA 12 8.499 1.524 -6.402 96 HB2 ALA 12 HB2 ALA 12 8.759 2.690 -7.699 97 HB3 ALA 12 HB3 ALA 12 9.633 1.158 -7.702 98 H LEU 13 H LEU 13 5.844 0.429 -6.464 99 HA LEU 13 HA LEU 13 6.634 -1.961 -5.359 100 HB2 LEU 13 HB2 LEU 13 3.988 -0.748 -5.931 101 HB3 LEU 13 HB3 LEU 13 3.976 -2.479 -5.593 102 HG LEU 13 HG LEU 13 5.041 -2.162 -3.469 103 HD11 LEU 13 HD11 LEU 13 5.719 0.483 -4.655 104 HD12 LEU 13 HD12 LEU 13 6.686 -0.565 -3.619 105 HD13 LEU 13 HD13 LEU 13 5.424 0.448 -2.916 106 HD21 LEU 13 HD21 LEU 13 2.577 -1.545 -3.700 107 HD22 LEU 13 HD22 LEU 13 3.091 0.141 -3.733 108 HD23 LEU 13 HD23 LEU 13 3.402 -0.848 -2.306 109 HA PRO 14 HA PRO 14 6.698 -5.085 -8.468 110 HB2 PRO 14 HB3 PRO 14 5.674 -7.234 -7.085 111 HB3 PRO 14 HB2 PRO 14 7.328 -6.622 -6.881 112 HG2 PRO 14 HG3 PRO 14 4.917 -6.162 -5.195 113 HG3 PRO 14 HG2 PRO 14 6.600 -6.433 -4.712 114 HD2 PRO 14 HD3 PRO 14 5.478 -3.949 -4.730 115 HD3 PRO 14 HD2 PRO 14 7.202 -4.215 -5.069 116 H GLN 15 H GLN 15 5.335 -6.229 -9.954 117 HA GLN 15 HA GLN 15 2.752 -5.128 -10.376 118 HB2 GLN 15 HB3 GLN 15 3.905 -7.749 -11.378 119 HB3 GLN 15 HB2 GLN 15 2.459 -6.971 -12.020 120 HG2 GLN 15 HG2 GLN 15 5.214 -5.707 -11.951 121 HG3 GLN 15 HG3 GLN 15 4.483 -6.453 -13.374 122 HE21 GLN 15 HE21 GLN 15 5.053 -3.469 -12.174 123 HE22 GLN 15 HE22 GLN 15 3.678 -2.642 -12.729 124 H GLY 16 H GLY 16 0.886 -5.517 -9.293 125 HA2 GLY 16 HA2 GLY 16 -0.722 -7.426 -8.759 126 HA3 GLY 16 HA3 GLY 16 0.623 -8.129 -7.859 127 H TRP 17 H TRP 17 1.481 -5.403 -6.942 128 HA TRP 17 HA TRP 17 -0.299 -5.277 -4.606 129 HB2 TRP 17 HB3 TRP 17 2.222 -3.766 -5.351 130 HB3 TRP 17 HB2 TRP 17 1.339 -3.514 -3.847 131 HD1 TRP 17 HD1 TRP 17 2.370 -6.749 -5.716 132 HE1 TRP 17 HE1 TRP 17 3.539 -8.307 -4.028 133 HE3 TRP 17 HE3 TRP 17 2.257 -3.786 -1.559 134 HZ2 TRP 17 HZ2 TRP 17 4.323 -8.298 -1.276 135 HZ3 TRP 17 HZ3 TRP 17 3.221 -4.585 0.580 136 HH2 TRP 17 HH2 TRP 17 4.253 -6.835 0.727 137 H GLU 18 H GLU 18 -1.641 -3.521 -4.096 138 HA GLU 18 HA GLU 18 -1.835 -1.345 -6.128 139 HB2 GLU 18 HB3 GLU 18 -3.552 -3.156 -6.552 140 HB3 GLU 18 HB2 GLU 18 -4.241 -2.779 -4.972 141 HG2 GLU 18 HG2 GLU 18 -4.632 -0.459 -5.672 142 HG3 GLU 18 HG3 GLU 18 -3.894 -0.793 -7.239 143 H ARG 19 H ARG 19 -2.691 0.634 -5.273 144 HA ARG 19 HA ARG 19 -2.919 0.686 -2.289 145 HB2 ARG 19 HB3 ARG 19 -1.970 3.018 -3.958 146 HB3 ARG 19 HB2 ARG 19 -1.774 2.759 -2.224 147 HG2 ARG 19 HG3 ARG 19 -0.271 0.858 -2.666 148 HG3 ARG 19 HG2 ARG 19 -0.473 1.097 -4.402 149 HD2 ARG 19 HD3 ARG 19 0.644 3.176 -2.498 150 HD3 ARG 19 HD2 ARG 19 1.622 2.138 -3.534 151 HE ARG 19 HE ARG 19 0.666 3.292 -5.480 152 HH11 ARG 19 HH21 ARG 19 -0.072 4.540 -2.352 153 HH12 ARG 19 HH22 ARG 19 -0.527 6.105 -2.938 154 HH21 ARG 19 HH11 ARG 19 0.074 5.329 -6.262 155 HH22 ARG 19 HH12 ARG 19 -0.445 6.552 -5.152 156 H GLU 20 H GLU 20 -4.293 2.531 -1.501 157 HA GLU 20 HA GLU 20 -6.170 3.693 -3.439 158 HB2 GLU 20 HB3 GLU 20 -8.138 2.743 -2.066 159 HB3 GLU 20 HB2 GLU 20 -7.333 1.641 -3.183 160 HG2 GLU 20 HG2 GLU 20 -6.005 0.699 -1.369 161 HG3 GLU 20 HG3 GLU 20 -6.676 1.868 -0.232 162 H GLU 21 H GLU 21 -6.672 5.705 -2.714 163 HA GLU 21 HA GLU 21 -5.986 6.421 0.069 164 HB2 GLU 21 HB3 GLU 21 -6.815 8.029 -2.356 165 HB3 GLU 21 HB2 GLU 21 -6.627 8.753 -0.759 166 HG2 GLU 21 HG2 GLU 21 -4.297 8.028 -0.662 167 HG3 GLU 21 HG3 GLU 21 -4.468 7.193 -2.208 168 H VAL 22 H VAL 22 -7.507 6.790 1.643 169 HA VAL 22 HA VAL 22 -10.360 7.018 0.810 170 HB VAL 22 HB VAL 22 -9.175 5.050 2.772 171 HG11 VAL 22 HG21 VAL 22 -10.947 5.975 4.038 172 HG12 VAL 22 HG22 VAL 22 -11.670 4.569 3.258 173 HG13 VAL 22 HG23 VAL 22 -11.967 6.184 2.615 174 HG21 VAL 22 HG13 VAL 22 -11.345 4.535 0.756 175 HG22 VAL 22 HG11 VAL 22 -10.140 3.420 1.401 176 HG23 VAL 22 HG12 VAL 22 -9.669 4.639 0.218 177 HA PRO 23 HA PRO 23 -9.481 10.521 3.599 178 HB2 PRO 23 HB3 PRO 23 -12.289 11.065 2.761 179 HB3 PRO 23 HB2 PRO 23 -10.883 12.147 2.766 180 HG2 PRO 23 HG3 PRO 23 -11.828 11.138 0.500 181 HG3 PRO 23 HG2 PRO 23 -10.090 11.350 0.763 182 HD2 PRO 23 HD3 PRO 23 -11.704 8.827 0.817 183 HD3 PRO 23 HD2 PRO 23 -10.034 9.099 0.276 184 H ARG 24 H ARG 24 -9.859 10.499 5.785 185 HA ARG 24 HA ARG 24 -11.744 8.603 6.925 186 HB2 ARG 24 HB3 ARG 24 -10.100 10.802 8.218 187 HB3 ARG 24 HB2 ARG 24 -11.002 9.567 9.098 188 HG2 ARG 24 HG3 ARG 24 -9.664 7.804 8.036 189 HG3 ARG 24 HG2 ARG 24 -8.785 9.015 7.101 190 HD2 ARG 24 HD3 ARG 24 -7.444 8.403 9.034 191 HD3 ARG 24 HD2 ARG 24 -8.031 10.052 9.253 192 HE ARG 24 HE ARG 24 -9.878 8.220 10.454 193 HH11 ARG 24 HH21 ARG 24 -6.722 9.569 10.772 194 HH12 ARG 24 HH22 ARG 24 -6.689 9.426 12.497 195 HH21 ARG 24 HH11 ARG 24 -9.854 8.023 12.704 196 HH22 ARG 24 HH12 ARG 24 -8.463 8.551 13.592 197 H ARG 25 H ARG 25 -13.505 9.242 8.410 198 HA ARG 25 HA ARG 25 -14.493 11.967 8.418 199 HB2 ARG 25 HB3 ARG 25 -15.042 11.052 6.068 200 HB3 ARG 25 HB2 ARG 25 -16.208 10.010 6.885 201 HG2 ARG 25 HG3 ARG 25 -17.322 11.967 7.849 202 HG3 ARG 25 HG2 ARG 25 -16.130 13.035 7.105 203 HD2 ARG 25 HD3 ARG 25 -16.831 12.138 4.862 204 HD3 ARG 25 HD2 ARG 25 -18.125 11.257 5.675 205 HE ARG 25 HE ARG 25 -18.302 13.990 6.443 206 HH11 ARG 25 HH21 ARG 25 -18.614 11.921 3.704 207 HH12 ARG 25 HH22 ARG 25 -19.789 12.920 2.917 208 HH21 ARG 25 HH11 ARG 25 -19.834 15.307 5.431 209 HH22 ARG 25 HH12 ARG 25 -20.481 14.837 3.894 210 H SER 26 H SER 26 -14.025 9.379 10.054 211 HA SER 26 HA SER 26 -16.474 9.687 11.679 212 HB2 SER 26 HB3 SER 26 -17.347 7.816 10.699 213 HB3 SER 26 HB2 SER 26 -15.781 7.274 10.104 214 HG SER 26 HG SER 26 -17.117 6.573 12.348 215 H GLY 27 H GLY 27 -13.328 8.056 11.301 216 HA2 GLY 27 HA2 GLY 27 -12.896 7.234 13.944 217 HA3 GLY 27 HA3 GLY 27 -11.602 7.774 12.873 218 H LEU 28 H LEU 28 -11.751 8.286 15.722 219 HA LEU 28 HA LEU 28 -12.713 10.910 16.308 220 HB2 LEU 28 HB2 LEU 28 -12.083 9.311 18.071 221 HB3 LEU 28 HB3 LEU 28 -10.400 9.391 17.553 222 HG LEU 28 HG LEU 28 -10.335 11.791 18.076 223 HD11 LEU 28 HD11 LEU 28 -12.435 12.531 19.513 224 HD12 LEU 28 HD12 LEU 28 -13.253 11.301 18.551 225 HD13 LEU 28 HD13 LEU 28 -12.463 12.663 17.755 226 HD21 LEU 28 HD21 LEU 28 -11.435 10.051 20.307 227 HD22 LEU 28 HD22 LEU 28 -10.627 11.600 20.555 228 HD23 LEU 28 HD23 LEU 28 -9.738 10.242 19.867 229 H SER 29 H SER 29 -9.557 9.755 15.136 230 HA SER 29 HA SER 29 -8.473 12.482 15.074 231 HB2 SER 29 HB3 SER 29 -7.391 9.851 14.025 232 HB3 SER 29 HB2 SER 29 -6.507 11.374 13.994 233 HG SER 29 HG SER 29 -6.093 9.999 15.851 234 H ALA 30 H ALA 30 -10.831 11.300 13.329 235 HA ALA 30 HA ALA 30 -10.266 11.231 10.631 236 HB1 ALA 30 HB1 ALA 30 -12.527 12.517 12.145 237 HB2 ALA 30 HB2 ALA 30 -12.546 11.058 11.154 238 HB3 ALA 30 HB3 ALA 30 -12.454 12.644 10.389 239 H GLY 31 H GLY 31 -10.593 13.091 8.994 240 HA2 GLY 31 HA2 GLY 31 -10.362 15.547 8.646 241 HA3 GLY 31 HA3 GLY 31 -9.239 15.559 10.007 242 H HIS 32 H HIS 32 -8.024 12.979 9.046 243 HA HIS 32 HA HIS 32 -6.349 14.192 6.889 244 HB2 HIS 32 HB2 HIS 32 -5.696 11.946 8.824 245 HB3 HIS 32 HB3 HIS 32 -4.596 12.618 7.621 246 HD1 HIS 32 HD1 HIS 32 -4.697 12.769 10.989 247 HD2 HIS 32 HD2 HIS 32 -5.089 15.828 8.178 248 HE1 HIS 32 HE1 HIS 32 -4.110 14.924 12.188 249 HE2 HIS 32 HE2 HIS 32 -4.345 16.791 10.485 250 H ARG 33 H ARG 33 -5.245 12.211 5.593 251 HA ARG 33 HA ARG 33 -7.523 10.489 4.699 252 HB2 ARG 33 HB3 ARG 33 -5.125 11.495 3.136 253 HB3 ARG 33 HB2 ARG 33 -6.379 10.431 2.498 254 HG2 ARG 33 HG3 ARG 33 -8.081 12.149 2.917 255 HG3 ARG 33 HG2 ARG 33 -6.856 13.213 3.609 256 HD2 ARG 33 HD3 ARG 33 -5.648 13.209 1.444 257 HD3 ARG 33 HD2 ARG 33 -6.911 12.190 0.755 258 HE ARG 33 HE ARG 33 -8.213 14.449 1.817 259 HH11 ARG 33 HH21 ARG 33 -5.819 13.661 -0.533 260 HH12 ARG 33 HH22 ARG 33 -6.201 14.997 -1.567 261 HH21 ARG 33 HH11 ARG 33 -8.728 16.198 0.482 262 HH22 ARG 33 HH12 ARG 33 -7.849 16.433 -0.993 263 H ASP 34 H ASP 34 -7.224 8.298 4.780 264 HA ASP 34 HA ASP 34 -4.541 7.339 5.668 265 HB2 ASP 34 HB2 ASP 34 -5.851 5.246 6.288 266 HB3 ASP 34 HB3 ASP 34 -6.265 6.693 7.209 267 H VAL 35 H VAL 35 -3.401 5.912 4.395 268 HA VAL 35 HA VAL 35 -4.693 5.098 1.825 269 HB VAL 35 HB VAL 35 -1.736 5.334 2.454 270 HG11 VAL 35 HG21 VAL 35 -3.109 5.179 -0.237 271 HG12 VAL 35 HG22 VAL 35 -2.542 3.743 0.616 272 HG13 VAL 35 HG23 VAL 35 -1.392 4.984 0.119 273 HG21 VAL 35 HG13 VAL 35 -3.767 7.269 1.406 274 HG22 VAL 35 HG11 VAL 35 -2.149 7.304 0.705 275 HG23 VAL 35 HG12 VAL 35 -2.365 7.565 2.436 276 H PHE 36 H PHE 36 -4.842 2.928 1.374 277 HA PHE 36 HA PHE 36 -3.585 1.066 3.351 278 HB2 PHE 36 HB3 PHE 36 -6.184 0.913 1.817 279 HB3 PHE 36 HB2 PHE 36 -5.459 -0.507 2.569 280 HD1 PHE 36 HD2 PHE 36 -6.885 2.853 3.213 281 HD2 PHE 36 HD1 PHE 36 -5.457 -0.802 4.957 282 HE1 PHE 36 HE2 PHE 36 -7.829 3.531 5.404 283 HE2 PHE 36 HE1 PHE 36 -6.399 -0.125 7.149 284 HZ PHE 36 HZ PHE 36 -7.585 2.042 7.373 285 H TYR 37 H TYR 37 -2.616 -0.851 2.518 286 HA TYR 37 HA TYR 37 -2.133 -0.794 -0.436 287 HB2 TYR 37 HB3 TYR 37 -0.293 -1.590 1.836 288 HB3 TYR 37 HB2 TYR 37 0.053 -1.940 0.142 289 HD1 TYR 37 HD1 TYR 37 -1.015 0.941 2.301 290 HD2 TYR 37 HD2 TYR 37 1.298 -0.385 -1.066 291 HE1 TYR 37 HE1 TYR 37 -0.128 3.238 2.007 292 HE2 TYR 37 HE2 TYR 37 2.186 1.911 -1.361 293 HH TYR 37 HH TYR 37 0.884 4.541 -0.244 294 H TYR 38 H TYR 38 -2.083 -2.844 -1.499 295 HA TYR 38 HA TYR 38 -3.070 -5.140 0.142 296 HB2 TYR 38 HB3 TYR 38 -4.059 -4.263 -2.588 297 HB3 TYR 38 HB2 TYR 38 -4.517 -5.769 -1.795 298 HD1 TYR 38 HD1 TYR 38 -4.355 -2.083 -1.098 299 HD2 TYR 38 HD2 TYR 38 -6.428 -5.790 -0.459 300 HE1 TYR 38 HE1 TYR 38 -6.112 -0.882 0.175 301 HE2 TYR 38 HE2 TYR 38 -8.187 -4.589 0.814 302 HH TYR 38 HH TYR 38 -8.712 -2.632 1.819 303 H SER 39 H SER 39 -2.142 -7.117 -0.376 304 HA SER 39 HA SER 39 -0.052 -7.047 -2.511 305 HB2 SER 39 HB3 SER 39 1.326 -8.101 -1.065 306 HB3 SER 39 HB2 SER 39 0.129 -7.776 0.185 307 HG SER 39 HG SER 39 -0.882 -9.764 -0.453 308 HA PRO 40 HA PRO 40 -1.708 -10.345 -4.912 309 HB2 PRO 40 HB3 PRO 40 0.308 -12.278 -3.860 310 HB3 PRO 40 HB2 PRO 40 -0.069 -11.842 -5.538 311 HG2 PRO 40 HG3 PRO 40 2.134 -10.957 -4.353 312 HG3 PRO 40 HG2 PRO 40 1.216 -9.937 -5.475 313 HD2 PRO 40 HD3 PRO 40 1.339 -9.802 -2.478 314 HD3 PRO 40 HD2 PRO 40 1.159 -8.479 -3.649 315 H SER 41 H SER 41 -0.940 -11.304 -1.586 316 HA SER 41 HA SER 41 -2.797 -13.547 -1.584 317 HB2 SER 41 HB3 SER 41 -0.797 -13.355 -0.059 318 HB3 SER 41 HB2 SER 41 -1.641 -12.066 0.795 319 HG SER 41 HG SER 41 -2.848 -13.513 1.726 320 H GLY 42 H GLY 42 -3.250 -10.238 -1.602 321 HA2 GLY 42 HA2 GLY 42 -5.292 -9.053 -1.416 322 HA3 GLY 42 HA3 GLY 42 -6.057 -10.531 -0.832 323 H LYS 43 H LYS 43 -3.143 -9.741 0.772 324 HA LYS 43 HA LYS 43 -4.588 -9.268 3.265 325 HB2 LYS 43 HB3 LYS 43 -2.441 -10.538 3.169 326 HB3 LYS 43 HB2 LYS 43 -1.617 -9.051 2.694 327 HG2 LYS 43 HG3 LYS 43 -2.446 -7.980 4.801 328 HG3 LYS 43 HG2 LYS 43 -3.110 -9.539 5.287 329 HD2 LYS 43 HD3 LYS 43 -0.895 -10.546 5.262 330 HD3 LYS 43 HD2 LYS 43 -0.190 -9.060 4.626 331 HE2 LYS 43 HE3 LYS 43 -0.828 -7.857 6.668 332 HE3 LYS 43 HE2 LYS 43 -1.592 -9.313 7.304 333 HZ1 LYS 43 HZ1 LYS 43 0.376 -9.809 8.163 334 HZ2 LYS 43 HZ2 LYS 43 1.157 -8.569 7.304 335 HZ3 LYS 43 HZ3 LYS 43 0.934 -10.094 6.587 336 H LYS 44 H LYS 44 -5.224 -7.293 3.979 337 HA LYS 44 HA LYS 44 -4.200 -4.889 2.575 338 HB2 LYS 44 HB3 LYS 44 -6.052 -3.803 4.068 339 HB3 LYS 44 HB2 LYS 44 -6.541 -4.791 2.691 340 HG2 LYS 44 HG3 LYS 44 -7.044 -6.659 4.069 341 HG3 LYS 44 HG2 LYS 44 -6.189 -5.970 5.450 342 HD2 LYS 44 HD3 LYS 44 -8.424 -4.359 4.320 343 HD3 LYS 44 HD2 LYS 44 -8.865 -5.824 5.198 344 HE2 LYS 44 HE3 LYS 44 -7.039 -3.654 6.272 345 HE3 LYS 44 HE2 LYS 44 -8.744 -3.830 6.687 346 HZ1 LYS 44 HZ1 LYS 44 -7.309 -4.868 8.334 347 HZ2 LYS 44 HZ2 LYS 44 -6.637 -5.874 7.142 348 HZ3 LYS 44 HZ3 LYS 44 -8.277 -6.024 7.560 349 H PHE 45 H PHE 45 -2.570 -3.753 3.500 350 HA PHE 45 HA PHE 45 -2.501 -3.518 6.460 351 HB2 PHE 45 HB3 PHE 45 0.091 -3.776 6.186 352 HB3 PHE 45 HB2 PHE 45 -0.909 -5.227 6.259 353 HD1 PHE 45 HD1 PHE 45 0.369 -2.753 3.741 354 HD2 PHE 45 HD2 PHE 45 -0.646 -6.838 4.595 355 HE1 PHE 45 HE1 PHE 45 1.172 -3.423 1.492 356 HE2 PHE 45 HE2 PHE 45 0.156 -7.507 2.348 357 HZ PHE 45 HZ PHE 45 1.066 -5.801 0.796 358 H ARG 46 H ARG 46 -1.311 -1.621 7.169 359 HA ARG 46 HA ARG 46 -0.643 0.297 4.976 360 HB2 ARG 46 HB3 ARG 46 -1.519 1.959 6.947 361 HB3 ARG 46 HB2 ARG 46 -2.542 1.384 5.630 362 HG2 ARG 46 HG3 ARG 46 -3.368 -0.447 6.997 363 HG3 ARG 46 HG2 ARG 46 -2.243 -0.035 8.292 364 HD2 ARG 46 HD3 ARG 46 -3.348 2.138 8.589 365 HD3 ARG 46 HD2 ARG 46 -4.452 1.771 7.264 366 HE ARG 46 HE ARG 46 -4.668 -0.331 9.153 367 HH11 ARG 46 HH21 ARG 46 -5.218 3.058 8.840 368 HH12 ARG 46 HH22 ARG 46 -6.529 3.085 9.972 369 HH21 ARG 46 HH11 ARG 46 -6.377 -0.315 10.632 370 HH22 ARG 46 HH12 ARG 46 -7.185 1.175 10.987 371 H SER 47 H SER 47 -0.519 0.256 8.558 372 HA SER 47 HA SER 47 1.504 1.697 9.359 373 HB2 SER 47 HB3 SER 47 2.005 -1.245 9.762 374 HB3 SER 47 HB2 SER 47 2.239 0.079 10.900 375 HG SER 47 HG SER 47 0.023 -1.414 10.375 376 H LYS 48 H LYS 48 3.459 2.354 8.604 377 HA LYS 48 HA LYS 48 4.616 1.334 6.214 378 HB2 LYS 48 HB3 LYS 48 5.133 3.453 8.024 379 HB3 LYS 48 HB2 LYS 48 6.633 2.536 7.883 380 HG2 LYS 48 HG3 LYS 48 5.017 3.396 5.475 381 HG3 LYS 48 HG2 LYS 48 6.313 4.381 6.155 382 HD2 LYS 48 HD3 LYS 48 7.864 2.433 5.888 383 HD3 LYS 48 HD2 LYS 48 6.565 1.562 5.071 384 HE2 LYS 48 HE3 LYS 48 8.012 2.608 3.403 385 HE3 LYS 48 HE2 LYS 48 6.434 3.397 3.390 386 HZ1 LYS 48 HZ1 LYS 48 7.989 5.124 3.396 387 HZ2 LYS 48 HZ2 LYS 48 8.966 4.375 4.568 388 HZ3 LYS 48 HZ3 LYS 48 7.461 5.031 5.005 389 HA PRO 49 HA PRO 49 7.740 -0.818 9.397 390 HB2 PRO 49 HB3 PRO 49 5.648 -1.489 11.415 391 HB3 PRO 49 HB2 PRO 49 7.348 -1.041 11.657 392 HG2 PRO 49 HG3 PRO 49 5.395 0.677 12.174 393 HG3 PRO 49 HG2 PRO 49 6.922 1.211 11.454 394 HD2 PRO 49 HD3 PRO 49 4.249 0.843 10.135 395 HD3 PRO 49 HD2 PRO 49 5.507 2.050 9.791 396 H GLN 50 H GLN 50 4.329 -1.910 9.409 397 HA GLN 50 HA GLN 50 4.959 -4.704 9.162 398 HB2 GLN 50 HB3 GLN 50 2.744 -3.835 9.908 399 HB3 GLN 50 HB2 GLN 50 2.449 -3.253 8.268 400 HG2 GLN 50 HG2 GLN 50 2.638 -5.545 7.402 401 HG3 GLN 50 HG3 GLN 50 2.977 -6.142 9.027 402 HE21 GLN 50 HE21 GLN 50 1.022 -4.315 10.329 403 HE22 GLN 50 HE22 GLN 50 -0.517 -4.917 9.937 404 H LEU 51 H LEU 51 4.422 -2.121 6.803 405 HA LEU 51 HA LEU 51 4.271 -3.780 4.478 406 HB2 LEU 51 HB2 LEU 51 3.651 -1.402 4.428 407 HB3 LEU 51 HB3 LEU 51 5.322 -0.949 4.766 408 HG LEU 51 HG LEU 51 6.046 -2.020 2.667 409 HD11 LEU 51 HD11 LEU 51 3.982 -2.531 1.087 410 HD12 LEU 51 HD12 LEU 51 3.153 -2.808 2.619 411 HD13 LEU 51 HD13 LEU 51 4.578 -3.761 2.202 412 HD21 LEU 51 HD21 LEU 51 3.706 -0.271 1.940 413 HD22 LEU 51 HD22 LEU 51 5.333 -0.287 1.257 414 HD23 LEU 51 HD23 LEU 51 5.054 0.402 2.856 415 H ALA 52 H ALA 52 7.049 -2.202 6.070 416 HA ALA 52 HA ALA 52 8.993 -3.153 4.173 417 HB1 ALA 52 HB1 ALA 52 10.621 -2.302 5.652 418 HB2 ALA 52 HB2 ALA 52 9.613 -2.591 7.070 419 HB3 ALA 52 HB3 ALA 52 9.216 -1.279 5.960 420 H ARG 53 H ARG 53 7.782 -4.435 7.261 421 HA ARG 53 HA ARG 53 9.618 -6.602 7.493 422 HB2 ARG 53 HB3 ARG 53 6.762 -6.271 8.441 423 HB3 ARG 53 HB2 ARG 53 7.755 -7.669 8.856 424 HG2 ARG 53 HG3 ARG 53 9.438 -6.188 9.871 425 HG3 ARG 53 HG2 ARG 53 8.468 -4.779 9.441 426 HD2 ARG 53 HD3 ARG 53 8.045 -5.361 11.773 427 HD3 ARG 53 HD2 ARG 53 6.598 -5.692 10.820 428 HE ARG 53 HE ARG 53 8.217 -8.055 10.952 429 HH11 ARG 53 HH21 ARG 53 6.190 -5.981 12.816 430 HH12 ARG 53 HH22 ARG 53 5.675 -7.233 13.896 431 HH21 ARG 53 HH11 ARG 53 7.558 -9.703 12.352 432 HH22 ARG 53 HH12 ARG 53 6.450 -9.341 13.633 433 H TYR 54 H TYR 54 6.470 -6.368 5.844 434 HA TYR 54 HA TYR 54 6.283 -9.103 5.064 435 HB2 TYR 54 HB3 TYR 54 4.486 -7.287 4.881 436 HB3 TYR 54 HB2 TYR 54 5.302 -6.771 3.404 437 HD1 TYR 54 HD2 TYR 54 5.612 -8.440 1.520 438 HD2 TYR 54 HD1 TYR 54 3.071 -9.198 4.899 439 HE1 TYR 54 HE2 TYR 54 4.467 -10.239 0.255 440 HE2 TYR 54 HE1 TYR 54 1.927 -10.998 3.634 441 HH TYR 54 HH TYR 54 1.720 -11.355 0.726 442 H LEU 55 H LEU 55 7.496 -6.299 3.187 443 HA LEU 55 HA LEU 55 8.708 -8.142 1.228 444 HB2 LEU 55 HB2 LEU 55 8.692 -5.113 1.416 445 HB3 LEU 55 HB3 LEU 55 9.402 -6.030 0.086 446 HG LEU 55 HG LEU 55 6.504 -6.278 0.939 447 HD11 LEU 55 HD11 LEU 55 7.738 -4.690 -1.334 448 HD12 LEU 55 HD12 LEU 55 6.954 -4.011 0.093 449 HD13 LEU 55 HD13 LEU 55 6.009 -4.930 -1.079 450 HD21 LEU 55 HD21 LEU 55 8.228 -7.423 -1.237 451 HD22 LEU 55 HD22 LEU 55 6.514 -7.151 -1.555 452 HD23 LEU 55 HD23 LEU 55 7.010 -8.223 -0.245 453 H GLY 56 H GLY 56 9.575 -7.136 4.225 454 HA2 GLY 56 HA2 GLY 56 12.142 -6.102 4.171 455 HA3 GLY 56 HA3 GLY 56 11.651 -7.337 5.331 456 H GLY 57 H GLY 57 13.363 -6.739 2.353 457 HA2 GLY 57 HA2 GLY 57 15.334 -8.337 2.098 458 HA3 GLY 57 HA3 GLY 57 14.144 -9.626 2.280 459 H SER 58 H SER 58 12.086 -8.902 0.691 460 HA SER 58 HA SER 58 13.034 -9.460 -1.948 461 HB2 SER 58 HB3 SER 58 10.395 -8.108 -1.493 462 HB3 SER 58 HB2 SER 58 10.797 -9.420 -2.596 463 HG SER 58 HG SER 58 9.800 -9.581 -0.152 464 H MET 59 H MET 59 12.256 -6.439 -0.290 465 HA MET 59 HA MET 59 13.796 -4.923 -2.243 466 HB2 MET 59 HB3 MET 59 11.550 -5.246 -3.372 467 HB3 MET 59 HB2 MET 59 10.834 -4.317 -2.055 468 HG2 MET 59 HG3 MET 59 12.149 -2.373 -2.608 469 HG3 MET 59 HG2 MET 59 13.108 -3.291 -3.770 470 HE1 MET 59 HE1 MET 59 9.827 -1.984 -2.655 471 HE2 MET 59 HE2 MET 59 9.078 -3.464 -3.250 472 HE3 MET 59 HE3 MET 59 8.759 -1.934 -4.064 473 H ASP 60 H ASP 60 14.018 -2.656 -1.560 474 HA ASP 60 HA ASP 60 13.749 -2.413 1.370 475 HB2 ASP 60 HB2 ASP 60 15.867 -1.794 0.121 476 HB3 ASP 60 HB3 ASP 60 14.978 -0.434 -0.567 477 H LEU 61 H LEU 61 11.791 -1.676 2.061 478 HA LEU 61 HA LEU 61 10.288 0.245 0.380 479 HB2 LEU 61 HB2 LEU 61 9.609 -1.444 2.782 480 HB3 LEU 61 HB3 LEU 61 8.566 -0.105 2.300 481 HG LEU 61 HG LEU 61 7.911 -2.329 1.307 482 HD11 LEU 61 HD11 LEU 61 7.759 0.138 0.234 483 HD12 LEU 61 HD12 LEU 61 7.159 -1.295 -0.601 484 HD13 LEU 61 HD13 LEU 61 8.748 -0.644 -0.999 485 HD21 LEU 61 HD21 LEU 61 9.292 -3.341 -0.368 486 HD22 LEU 61 HD22 LEU 61 10.352 -3.026 1.006 487 HD23 LEU 61 HD23 LEU 61 10.387 -1.958 -0.396 488 H SER 62 H SER 62 12.596 0.389 2.774 489 HA SER 62 HA SER 62 11.623 2.389 4.545 490 HB2 SER 62 HB3 SER 62 13.740 1.148 4.903 491 HB3 SER 62 HB2 SER 62 14.458 1.995 3.536 492 HG SER 62 HG SER 62 14.063 3.953 4.676 493 H THR 63 H THR 63 13.167 2.653 1.357 494 HA THR 63 HA THR 63 13.026 5.594 1.452 495 HB THR 63 HB THR 63 14.053 5.496 -0.771 496 HG1 THR 63 HG1 THR 63 13.092 3.759 -1.691 497 HG21 THR 63 HG21 THR 63 16.134 4.443 -0.158 498 HG22 THR 63 HG22 THR 63 15.322 3.404 1.014 499 HG23 THR 63 HG23 THR 63 15.440 5.140 1.305 500 H PHE 64 H PHE 64 10.642 3.545 1.300 501 HA PHE 64 HA PHE 64 9.342 4.498 -1.180 502 HB2 PHE 64 HB3 PHE 64 9.086 2.127 -0.538 503 HB3 PHE 64 HB2 PHE 64 8.345 2.620 0.985 504 HD1 PHE 64 HD2 PHE 64 7.978 3.088 -2.717 505 HD2 PHE 64 HD1 PHE 64 6.023 2.884 1.102 506 HE1 PHE 64 HE2 PHE 64 5.770 3.240 -3.838 507 HE2 PHE 64 HE1 PHE 64 3.816 3.034 -0.019 508 HZ PHE 64 HZ PHE 64 3.690 3.213 -2.489 509 H ASP 65 H ASP 65 7.922 6.183 -1.187 510 HA ASP 65 HA ASP 65 7.402 7.613 1.312 511 HB2 ASP 65 HB2 ASP 65 7.817 8.797 -0.846 512 HB3 ASP 65 HB3 ASP 65 6.309 8.130 -1.470 513 H PHE 66 H PHE 66 5.831 6.857 2.650 514 HA PHE 66 HA PHE 66 3.675 5.159 1.685 515 HB2 PHE 66 HB3 PHE 66 4.746 5.052 3.996 516 HB3 PHE 66 HB2 PHE 66 3.847 6.519 4.383 517 HD1 PHE 66 HD1 PHE 66 3.453 2.999 3.219 518 HD2 PHE 66 HD2 PHE 66 1.551 6.432 4.962 519 HE1 PHE 66 HE1 PHE 66 1.433 1.639 3.692 520 HE2 PHE 66 HE2 PHE 66 -0.469 5.074 5.434 521 HZ PHE 66 HZ PHE 66 -0.528 2.676 4.800 522 H ARG 67 H ARG 67 3.898 8.517 2.865 523 HA ARG 67 HA ARG 67 1.113 9.100 2.763 524 HB2 ARG 67 HB3 ARG 67 3.620 10.745 2.645 525 HB3 ARG 67 HB2 ARG 67 2.074 11.517 2.294 526 HG2 ARG 67 HG3 ARG 67 2.528 11.752 4.669 527 HG3 ARG 67 HG2 ARG 67 1.196 10.614 4.463 528 HD2 ARG 67 HD3 ARG 67 2.745 8.724 4.695 529 HD3 ARG 67 HD2 ARG 67 4.102 9.839 4.851 530 HE ARG 67 HE ARG 67 2.466 10.656 6.882 531 HH11 ARG 67 HH21 ARG 67 3.597 7.585 5.798 532 HH12 ARG 67 HH22 ARG 67 3.579 6.872 7.376 533 HH21 ARG 67 HH11 ARG 67 2.435 9.742 8.949 534 HH22 ARG 67 HH12 ARG 67 2.921 8.093 9.160 535 H THR 68 H THR 68 3.649 9.385 0.278 536 HA THR 68 HA THR 68 1.573 10.166 -1.701 537 HB THR 68 HB THR 68 3.398 10.781 -3.147 538 HG1 THR 68 HG1 THR 68 4.732 9.001 -2.712 539 HG21 THR 68 HG21 THR 68 2.983 12.427 -1.435 540 HG22 THR 68 HG22 THR 68 4.731 12.292 -1.628 541 HG23 THR 68 HG23 THR 68 3.932 11.517 -0.259 542 H GLY 69 H GLY 69 3.255 7.415 -0.590 543 HA2 GLY 69 HA2 GLY 69 3.280 5.200 -1.367 544 HA3 GLY 69 HA3 GLY 69 1.943 5.655 -2.425 545 H LYS 70 H LYS 70 5.215 7.037 -2.390 546 HA LYS 70 HA LYS 70 5.716 5.773 -5.042 547 HB2 LYS 70 HB3 LYS 70 5.911 8.724 -4.378 548 HB3 LYS 70 HB2 LYS 70 6.637 8.002 -5.814 549 HG2 LYS 70 HG3 LYS 70 4.420 7.179 -6.525 550 HG3 LYS 70 HG2 LYS 70 3.692 7.910 -5.093 551 HD2 LYS 70 HD3 LYS 70 4.415 10.136 -5.832 552 HD3 LYS 70 HD2 LYS 70 5.200 9.426 -7.244 553 HE2 LYS 70 HE3 LYS 70 2.885 10.385 -7.670 554 HE3 LYS 70 HE2 LYS 70 3.100 8.704 -8.155 555 HZ1 LYS 70 HZ1 LYS 70 2.172 9.252 -5.434 556 HZ2 LYS 70 HZ2 LYS 70 1.812 7.947 -6.459 557 HZ3 LYS 70 HZ3 LYS 70 1.066 9.452 -6.705 558 H MET 71 H MET 71 8.016 5.713 -5.591 559 HA MET 71 HA MET 71 9.690 5.431 -3.190 560 HB2 MET 71 HB3 MET 71 10.041 4.790 -6.114 561 HB3 MET 71 HB2 MET 71 11.420 4.762 -5.014 562 HG2 MET 71 HG3 MET 71 10.096 3.214 -3.525 563 HG3 MET 71 HG2 MET 71 8.878 3.129 -4.797 564 HE1 MET 71 HE1 MET 71 10.506 0.923 -3.342 565 HE2 MET 71 HE2 MET 71 11.105 -0.204 -4.556 566 HE3 MET 71 HE3 MET 71 9.424 0.321 -4.605 567 H LEU 72 H LEU 72 11.609 6.639 -2.815 568 HA LEU 72 HA LEU 72 12.420 8.766 -4.638 569 HB2 LEU 72 HB2 LEU 72 10.460 9.833 -3.608 570 HB3 LEU 72 HB3 LEU 72 11.106 9.492 -2.002 571 HG LEU 72 HG LEU 72 13.064 10.892 -2.465 572 HD11 LEU 72 HD11 LEU 72 11.827 10.939 -5.195 573 HD12 LEU 72 HD12 LEU 72 13.521 10.769 -4.739 574 HD13 LEU 72 HD13 LEU 72 12.740 12.347 -4.654 575 HD21 LEU 72 HD21 LEU 72 10.690 12.523 -3.344 576 HD22 LEU 72 HD22 LEU 72 11.982 12.962 -2.227 577 HD23 LEU 72 HD23 LEU 72 10.731 11.824 -1.725 Start of MODEL 12 1 H1 GLY 1 H1 GLY 1 -15.934 10.821 -11.227 2 H2 GLY 1 H2 GLY 1 -16.725 12.066 -12.070 3 H3 GLY 1 H3 GLY 1 -16.472 10.561 -12.817 4 HA2 GLY 1 HA2 GLY 1 -18.769 11.445 -11.449 5 HA3 GLY 1 HA3 GLY 1 -18.336 9.760 -11.868 6 H SER 2 H SER 2 -19.804 10.347 -9.595 7 HA SER 2 HA SER 2 -20.000 9.129 -7.594 8 HB2 SER 2 HB3 SER 2 -20.424 7.164 -8.739 9 HB3 SER 2 HB2 SER 2 -18.904 7.231 -9.626 10 HG SER 2 HG SER 2 -17.845 6.465 -7.869 11 H MET 3 H MET 3 -18.727 10.089 -6.040 12 HA MET 3 HA MET 3 -15.809 9.916 -6.138 13 HB2 MET 3 HB3 MET 3 -16.405 10.781 -3.604 14 HB3 MET 3 HB2 MET 3 -16.249 11.840 -5.006 15 HG2 MET 3 HG3 MET 3 -18.644 11.726 -5.420 16 HG3 MET 3 HG2 MET 3 -18.844 10.542 -4.127 17 HE1 MET 3 HE1 MET 3 -19.241 11.724 -1.236 18 HE2 MET 3 HE2 MET 3 -17.534 12.143 -1.125 19 HE3 MET 3 HE3 MET 3 -18.027 10.720 -2.039 20 H GLU 4 H GLU 4 -14.773 8.077 -5.545 21 HA GLU 4 HA GLU 4 -15.704 6.658 -3.106 22 HB2 GLU 4 HB3 GLU 4 -15.224 5.359 -5.803 23 HB3 GLU 4 HB2 GLU 4 -15.371 4.461 -4.290 24 HG2 GLU 4 HG2 GLU 4 -17.625 5.319 -3.949 25 HG3 GLU 4 HG3 GLU 4 -17.484 6.345 -5.376 26 H ARG 5 H ARG 5 -13.835 4.494 -3.444 27 HA ARG 5 HA ARG 5 -11.409 5.852 -2.570 28 HB2 ARG 5 HB3 ARG 5 -10.508 3.545 -2.345 29 HB3 ARG 5 HB2 ARG 5 -12.069 3.724 -1.546 30 HG2 ARG 5 HG3 ARG 5 -13.193 2.765 -3.528 31 HG3 ARG 5 HG2 ARG 5 -11.625 2.565 -4.314 32 HD2 ARG 5 HD3 ARG 5 -10.898 1.074 -2.488 33 HD3 ARG 5 HD2 ARG 5 -12.464 1.269 -1.703 34 HE ARG 5 HE ARG 5 -12.750 0.330 -4.430 35 HH11 ARG 5 HH21 ARG 5 -11.985 -0.536 -1.182 36 HH12 ARG 5 HH22 ARG 5 -12.492 -2.183 -1.360 37 HH21 ARG 5 HH11 ARG 5 -13.415 -1.815 -4.683 38 HH22 ARG 5 HH12 ARG 5 -13.301 -2.907 -3.343 39 H LYS 6 H LYS 6 -9.468 6.038 -3.708 40 HA LYS 6 HA LYS 6 -9.602 5.270 -6.598 41 HB2 LYS 6 HB3 LYS 6 -7.587 7.153 -6.385 42 HB3 LYS 6 HB2 LYS 6 -9.239 7.487 -6.905 43 HG2 LYS 6 HG3 LYS 6 -8.609 7.412 -3.971 44 HG3 LYS 6 HG2 LYS 6 -8.204 8.851 -4.907 45 HD2 LYS 6 HD3 LYS 6 -10.520 9.070 -5.647 46 HD3 LYS 6 HD2 LYS 6 -10.951 7.572 -4.823 47 HE2 LYS 6 HE3 LYS 6 -11.590 9.141 -3.231 48 HE3 LYS 6 HE2 LYS 6 -9.938 8.801 -2.716 49 HZ1 LYS 6 HZ1 LYS 6 -10.865 11.081 -4.373 50 HZ2 LYS 6 HZ2 LYS 6 -9.229 10.710 -4.105 51 HZ3 LYS 6 HZ3 LYS 6 -10.227 11.149 -2.802 52 H ARG 7 H ARG 7 -8.360 3.489 -6.934 53 HA ARG 7 HA ARG 7 -6.229 2.708 -5.136 54 HB2 ARG 7 HB3 ARG 7 -6.945 1.713 -7.912 55 HB3 ARG 7 HB2 ARG 7 -5.793 0.934 -6.826 56 HG2 ARG 7 HG3 ARG 7 -7.586 0.656 -5.139 57 HG3 ARG 7 HG2 ARG 7 -8.736 1.397 -6.253 58 HD2 ARG 7 HD3 ARG 7 -9.031 -0.933 -6.571 59 HD3 ARG 7 HD2 ARG 7 -8.018 -0.429 -7.925 60 HE ARG 7 HE ARG 7 -6.175 -1.587 -6.932 61 HH11 ARG 7 HH21 ARG 7 -8.993 -1.476 -4.951 62 HH12 ARG 7 HH22 ARG 7 -8.418 -2.671 -3.836 63 HH21 ARG 7 HH11 ARG 7 -5.407 -3.147 -5.489 64 HH22 ARG 7 HH12 ARG 7 -6.388 -3.617 -4.142 65 H TRP 8 H TRP 8 -3.958 2.284 -6.037 66 HA TRP 8 HA TRP 8 -3.153 4.386 -7.994 67 HB2 TRP 8 HB3 TRP 8 -1.680 3.846 -5.400 68 HB3 TRP 8 HB2 TRP 8 -1.336 5.113 -6.577 69 HD1 TRP 8 HD1 TRP 8 -2.997 4.665 -3.401 70 HE1 TRP 8 HE1 TRP 8 -4.715 6.533 -2.949 71 HE3 TRP 8 HE3 TRP 8 -3.385 6.660 -8.085 72 HZ2 TRP 8 HZ2 TRP 8 -6.076 8.599 -4.385 73 HZ3 TRP 8 HZ3 TRP 8 -4.900 8.575 -8.514 74 HH2 TRP 8 HH2 TRP 8 -6.243 9.546 -6.672 75 H GLU 9 H GLU 9 -1.910 3.478 -9.557 76 HA GLU 9 HA GLU 9 -0.795 0.778 -9.102 77 HB2 GLU 9 HB3 GLU 9 -0.980 2.525 -11.574 78 HB3 GLU 9 HB2 GLU 9 -0.254 0.916 -11.555 79 HG2 GLU 9 HG2 GLU 9 -2.449 0.438 -12.203 80 HG3 GLU 9 HG3 GLU 9 -2.528 0.199 -10.457 81 H CYS 10 H CYS 10 1.241 0.628 -8.307 82 HA CYS 10 HA CYS 10 3.193 2.767 -9.065 83 HB2 CYS 10 HB3 CYS 10 2.659 2.820 -6.662 84 HB3 CYS 10 HB2 CYS 10 3.084 1.113 -6.522 85 HG CYS 10 HG CYS 10 5.362 1.998 -6.062 86 HA PRO 11 HA PRO 11 4.828 -0.922 -11.196 87 HB2 PRO 11 HB3 PRO 11 6.745 1.188 -12.062 88 HB3 PRO 11 HB2 PRO 11 5.846 0.009 -13.037 89 HG2 PRO 11 HG3 PRO 11 5.155 2.575 -12.984 90 HG3 PRO 11 HG2 PRO 11 3.941 1.289 -13.077 91 HD2 PRO 11 HD3 PRO 11 4.705 2.993 -10.731 92 HD3 PRO 11 HD2 PRO 11 3.122 2.325 -11.185 93 H ALA 12 H ALA 12 6.434 1.386 -9.098 94 HA ALA 12 HA ALA 12 9.002 0.197 -8.919 95 HB1 ALA 12 HB1 ALA 12 9.281 1.424 -6.905 96 HB2 ALA 12 HB2 ALA 12 7.553 1.384 -6.548 97 HB3 ALA 12 HB3 ALA 12 8.159 2.391 -7.862 98 H LEU 13 H LEU 13 5.945 -0.660 -7.361 99 HA LEU 13 HA LEU 13 7.265 -2.789 -5.792 100 HB2 LEU 13 HB2 LEU 13 4.417 -1.794 -5.994 101 HB3 LEU 13 HB3 LEU 13 4.839 -3.252 -5.097 102 HG LEU 13 HG LEU 13 4.762 -1.158 -3.689 103 HD11 LEU 13 HD11 LEU 13 7.602 -2.099 -3.707 104 HD12 LEU 13 HD12 LEU 13 6.336 -3.297 -3.434 105 HD13 LEU 13 HD13 LEU 13 6.491 -1.914 -2.350 106 HD21 LEU 13 HD21 LEU 13 6.376 0.551 -3.983 107 HD22 LEU 13 HD22 LEU 13 5.816 0.210 -5.619 108 HD23 LEU 13 HD23 LEU 13 7.357 -0.442 -5.059 109 HA PRO 14 HA PRO 14 6.732 -6.148 -8.585 110 HB2 PRO 14 HB3 PRO 14 5.280 -7.562 -6.400 111 HB3 PRO 14 HB2 PRO 14 6.709 -8.071 -7.321 112 HG2 PRO 14 HG3 PRO 14 6.885 -7.211 -4.797 113 HG3 PRO 14 HG2 PRO 14 8.152 -6.893 -5.993 114 HD2 PRO 14 HD3 PRO 14 6.141 -5.018 -4.843 115 HD3 PRO 14 HD2 PRO 14 7.781 -4.711 -5.455 116 H GLN 15 H GLN 15 5.152 -6.996 -9.995 117 HA GLN 15 HA GLN 15 2.695 -5.631 -10.272 118 HB2 GLN 15 HB3 GLN 15 3.878 -8.117 -11.394 119 HB3 GLN 15 HB2 GLN 15 2.127 -7.957 -11.523 120 HG2 GLN 15 HG2 GLN 15 3.266 -6.993 -13.498 121 HG3 GLN 15 HG3 GLN 15 2.396 -5.755 -12.591 122 HE21 GLN 15 HE21 GLN 15 3.709 -3.914 -12.870 123 HE22 GLN 15 HE22 GLN 15 5.361 -3.857 -12.485 124 H GLY 16 H GLY 16 0.860 -5.749 -9.077 125 HA2 GLY 16 HA2 GLY 16 -0.918 -7.402 -8.307 126 HA3 GLY 16 HA3 GLY 16 0.397 -8.238 -7.480 127 H TRP 17 H TRP 17 1.608 -5.501 -6.865 128 HA TRP 17 HA TRP 17 0.139 -5.108 -4.348 129 HB2 TRP 17 HB3 TRP 17 2.662 -3.876 -5.485 130 HB3 TRP 17 HB2 TRP 17 1.979 -3.415 -3.926 131 HD1 TRP 17 HD1 TRP 17 3.190 -6.602 -5.748 132 HE1 TRP 17 HE1 TRP 17 4.162 -8.214 -3.986 133 HE3 TRP 17 HE3 TRP 17 2.207 -3.954 -1.494 134 HZ2 TRP 17 HZ2 TRP 17 4.482 -8.358 -1.148 135 HZ3 TRP 17 HZ3 TRP 17 2.856 -4.850 0.723 136 HH2 TRP 17 HH2 TRP 17 3.990 -7.048 0.902 137 H GLU 18 H GLU 18 -1.182 -3.369 -3.904 138 HA GLU 18 HA GLU 18 -1.262 -1.117 -5.841 139 HB2 GLU 18 HB3 GLU 18 -3.639 -2.823 -5.048 140 HB3 GLU 18 HB2 GLU 18 -3.770 -1.270 -5.875 141 HG2 GLU 18 HG2 GLU 18 -2.440 -2.130 -7.750 142 HG3 GLU 18 HG3 GLU 18 -2.246 -3.675 -6.921 143 H ARG 19 H ARG 19 -2.288 0.796 -4.935 144 HA ARG 19 HA ARG 19 -2.864 0.664 -2.015 145 HB2 ARG 19 HB3 ARG 19 -1.256 2.951 -3.123 146 HB3 ARG 19 HB2 ARG 19 -1.362 2.370 -1.459 147 HG2 ARG 19 HG3 ARG 19 0.758 1.618 -2.181 148 HG3 ARG 19 HG2 ARG 19 -0.276 0.199 -2.364 149 HD2 ARG 19 HD3 ARG 19 0.117 0.141 -4.577 150 HD3 ARG 19 HD2 ARG 19 -0.418 1.814 -4.750 151 HE ARG 19 HE ARG 19 1.848 2.435 -4.869 152 HH11 ARG 19 HH21 ARG 19 1.437 -0.609 -3.303 153 HH12 ARG 19 HH22 ARG 19 3.136 -0.905 -3.140 154 HH21 ARG 19 HH11 ARG 19 4.069 2.065 -4.664 155 HH22 ARG 19 HH12 ARG 19 4.627 0.609 -3.911 156 H GLU 20 H GLU 20 -4.504 2.069 -1.380 157 HA GLU 20 HA GLU 20 -5.562 3.929 -3.464 158 HB2 GLU 20 HB3 GLU 20 -7.775 3.150 -3.194 159 HB3 GLU 20 HB2 GLU 20 -6.817 1.669 -3.238 160 HG2 GLU 20 HG2 GLU 20 -6.716 1.822 -0.688 161 HG3 GLU 20 HG3 GLU 20 -7.966 3.061 -0.812 162 H GLU 21 H GLU 21 -6.372 5.866 -2.641 163 HA GLU 21 HA GLU 21 -5.928 6.310 0.267 164 HB2 GLU 21 HB3 GLU 21 -6.198 8.157 -2.110 165 HB3 GLU 21 HB2 GLU 21 -6.289 8.758 -0.454 166 HG2 GLU 21 HG2 GLU 21 -4.073 7.852 0.035 167 HG3 GLU 21 HG3 GLU 21 -3.982 7.145 -1.578 168 H VAL 22 H VAL 22 -7.613 6.986 1.618 169 HA VAL 22 HA VAL 22 -10.288 7.416 0.413 170 HB VAL 22 HB VAL 22 -9.541 5.183 2.295 171 HG11 VAL 22 HG21 VAL 22 -12.089 4.935 2.560 172 HG12 VAL 22 HG22 VAL 22 -12.189 6.610 2.017 173 HG13 VAL 22 HG23 VAL 22 -11.315 6.212 3.495 174 HG21 VAL 22 HG13 VAL 22 -11.214 5.423 -0.223 175 HG22 VAL 22 HG11 VAL 22 -11.082 3.945 0.731 176 HG23 VAL 22 HG12 VAL 22 -9.655 4.616 -0.062 177 HA PRO 23 HA PRO 23 -10.017 10.453 3.684 178 HB2 PRO 23 HB3 PRO 23 -12.341 11.741 3.094 179 HB3 PRO 23 HB2 PRO 23 -10.863 11.941 2.132 180 HG2 PRO 23 HG3 PRO 23 -13.277 10.293 1.575 181 HG3 PRO 23 HG2 PRO 23 -12.284 11.254 0.467 182 HD2 PRO 23 HD3 PRO 23 -12.064 8.502 0.726 183 HD3 PRO 23 HD2 PRO 23 -10.735 9.546 0.178 184 H ARG 24 H ARG 24 -10.740 10.381 5.793 185 HA ARG 24 HA ARG 24 -12.769 8.412 6.523 186 HB2 ARG 24 HB3 ARG 24 -11.274 10.452 8.201 187 HB3 ARG 24 HB2 ARG 24 -12.289 9.158 8.842 188 HG2 ARG 24 HG3 ARG 24 -10.840 7.470 7.843 189 HG3 ARG 24 HG2 ARG 24 -9.864 8.722 7.076 190 HD2 ARG 24 HD3 ARG 24 -8.718 7.997 9.086 191 HD3 ARG 24 HD2 ARG 24 -9.343 9.623 9.363 192 HE ARG 24 HE ARG 24 -10.913 8.721 10.915 193 HH11 ARG 24 HH21 ARG 24 -9.157 6.325 9.166 194 HH12 ARG 24 HH22 ARG 24 -9.668 5.017 10.181 195 HH21 ARG 24 HH11 ARG 24 -11.591 7.027 12.250 196 HH22 ARG 24 HH12 ARG 24 -11.046 5.416 11.928 197 H ARG 25 H ARG 25 -14.601 9.084 8.021 198 HA ARG 25 HA ARG 25 -15.564 11.805 7.969 199 HB2 ARG 25 HB3 ARG 25 -15.918 11.022 5.563 200 HB3 ARG 25 HB2 ARG 25 -17.099 9.882 6.207 201 HG2 ARG 25 HG3 ARG 25 -18.386 11.729 7.182 202 HG3 ARG 25 HG2 ARG 25 -17.188 12.888 6.602 203 HD2 ARG 25 HD3 ARG 25 -19.062 12.850 5.046 204 HD3 ARG 25 HD2 ARG 25 -17.653 12.131 4.264 205 HE ARG 25 HE ARG 25 -19.190 10.073 5.538 206 HH11 ARG 25 HH21 ARG 25 -19.195 12.301 2.907 207 HH12 ARG 25 HH22 ARG 25 -20.181 11.304 1.890 208 HH21 ARG 25 HH11 ARG 25 -20.478 8.758 4.225 209 HH22 ARG 25 HH12 ARG 25 -20.908 9.298 2.636 210 H SER 26 H SER 26 -15.684 8.570 8.924 211 HA SER 26 HA SER 26 -18.054 9.152 10.652 212 HB2 SER 26 HB3 SER 26 -18.504 7.452 8.832 213 HB3 SER 26 HB2 SER 26 -17.290 6.421 9.585 214 HG SER 26 HG SER 26 -19.673 6.275 10.205 215 H GLY 27 H GLY 27 -14.800 8.015 10.385 216 HA2 GLY 27 HA2 GLY 27 -14.698 6.648 12.943 217 HA3 GLY 27 HA3 GLY 27 -13.302 7.161 11.993 218 H LEU 28 H LEU 28 -13.270 7.496 14.751 219 HA LEU 28 HA LEU 28 -14.217 10.032 15.665 220 HB2 LEU 28 HB2 LEU 28 -13.419 8.265 17.197 221 HB3 LEU 28 HB3 LEU 28 -11.782 8.467 16.575 222 HG LEU 28 HG LEU 28 -11.776 10.813 17.334 223 HD11 LEU 28 HD11 LEU 28 -13.775 11.266 19.025 224 HD12 LEU 28 HD12 LEU 28 -14.615 10.117 17.984 225 HD13 LEU 28 HD13 LEU 28 -13.954 11.604 17.304 226 HD21 LEU 28 HD21 LEU 28 -11.434 10.338 19.620 227 HD22 LEU 28 HD22 LEU 28 -11.206 8.770 18.848 228 HD23 LEU 28 HD23 LEU 28 -12.727 9.141 19.658 229 H SER 29 H SER 29 -11.156 9.061 14.134 230 HA SER 29 HA SER 29 -10.071 11.773 14.280 231 HB2 SER 29 HB3 SER 29 -8.228 10.847 12.927 232 HB3 SER 29 HB2 SER 29 -8.582 9.801 14.298 233 HG SER 29 HG SER 29 -10.015 8.673 12.738 234 H ALA 30 H ALA 30 -12.649 10.907 12.711 235 HA ALA 30 HA ALA 30 -12.527 11.111 9.999 236 HB1 ALA 30 HB1 ALA 30 -14.303 12.668 11.890 237 HB2 ALA 30 HB2 ALA 30 -14.686 11.181 11.023 238 HB3 ALA 30 HB3 ALA 30 -14.528 12.701 10.140 239 H GLY 31 H GLY 31 -12.339 12.845 8.445 240 HA2 GLY 31 HA2 GLY 31 -11.849 15.173 7.891 241 HA3 GLY 31 HA3 GLY 31 -11.108 15.353 9.483 242 H HIS 32 H HIS 32 -9.559 12.932 9.418 243 HA HIS 32 HA HIS 32 -7.357 13.869 7.708 244 HB2 HIS 32 HB2 HIS 32 -7.577 11.585 9.688 245 HB3 HIS 32 HB3 HIS 32 -6.105 11.984 8.805 246 HD1 HIS 32 HD1 HIS 32 -6.862 12.306 12.023 247 HD2 HIS 32 HD2 HIS 32 -6.296 15.303 9.176 248 HE1 HIS 32 HE1 HIS 32 -6.258 14.409 13.304 249 HE2 HIS 32 HE2 HIS 32 -5.914 16.238 11.580 250 H ARG 33 H ARG 33 -6.141 12.126 6.420 251 HA ARG 33 HA ARG 33 -8.150 10.406 5.020 252 HB2 ARG 33 HB3 ARG 33 -5.644 11.745 3.956 253 HB3 ARG 33 HB2 ARG 33 -6.645 10.623 3.032 254 HG2 ARG 33 HG3 ARG 33 -8.583 12.111 3.289 255 HG3 ARG 33 HG2 ARG 33 -7.610 13.227 4.246 256 HD2 ARG 33 HD3 ARG 33 -6.112 13.591 2.334 257 HD3 ARG 33 HD2 ARG 33 -7.045 12.443 1.372 258 HE ARG 33 HE ARG 33 -8.840 14.427 2.314 259 HH11 ARG 33 HH21 ARG 33 -6.082 14.053 0.282 260 HH12 ARG 33 HH22 ARG 33 -6.523 15.348 -0.782 261 HH21 ARG 33 HH11 ARG 33 -9.433 16.120 0.939 262 HH22 ARG 33 HH12 ARG 33 -8.420 16.518 -0.409 263 H ASP 34 H ASP 34 -7.770 8.242 5.113 264 HA ASP 34 HA ASP 34 -5.095 7.353 6.097 265 HB2 ASP 34 HB2 ASP 34 -7.860 6.161 6.278 266 HB3 ASP 34 HB3 ASP 34 -6.423 5.168 6.525 267 H VAL 35 H VAL 35 -3.873 5.977 4.836 268 HA VAL 35 HA VAL 35 -5.011 5.284 2.164 269 HB VAL 35 HB VAL 35 -2.085 5.194 2.896 270 HG11 VAL 35 HG21 VAL 35 -1.925 5.728 0.424 271 HG12 VAL 35 HG22 VAL 35 -3.674 5.511 0.335 272 HG13 VAL 35 HG23 VAL 35 -2.639 4.158 0.793 273 HG21 VAL 35 HG13 VAL 35 -2.457 7.428 3.420 274 HG22 VAL 35 HG11 VAL 35 -3.843 7.557 2.337 275 HG23 VAL 35 HG12 VAL 35 -2.207 7.553 1.678 276 H PHE 36 H PHE 36 -5.192 3.144 1.596 277 HA PHE 36 HA PHE 36 -4.155 1.146 3.568 278 HB2 PHE 36 HB3 PHE 36 -6.553 1.010 1.716 279 HB3 PHE 36 HB2 PHE 36 -5.989 -0.329 2.716 280 HD1 PHE 36 HD2 PHE 36 -6.106 -0.206 5.179 281 HD2 PHE 36 HD1 PHE 36 -7.668 2.928 2.692 282 HE1 PHE 36 HE2 PHE 36 -7.356 0.709 7.117 283 HE2 PHE 36 HE1 PHE 36 -8.917 3.843 4.628 284 HZ PHE 36 HZ PHE 36 -8.762 2.733 6.841 285 H TYR 37 H TYR 37 -2.963 -0.596 2.771 286 HA TYR 37 HA TYR 37 -2.308 -0.470 -0.145 287 HB2 TYR 37 HB3 TYR 37 -0.620 -1.361 2.212 288 HB3 TYR 37 HB2 TYR 37 -0.134 -1.533 0.524 289 HD1 TYR 37 HD2 TYR 37 -1.444 1.073 2.888 290 HD2 TYR 37 HD1 TYR 37 1.091 0.188 -0.462 291 HE1 TYR 37 HE2 TYR 37 -0.637 3.418 2.880 292 HE2 TYR 37 HE1 TYR 37 1.898 2.533 -0.473 293 HH TYR 37 HH TYR 37 0.478 4.971 1.649 294 H TYR 38 H TYR 38 -2.378 -2.398 -1.317 295 HA TYR 38 HA TYR 38 -3.321 -4.804 0.190 296 HB2 TYR 38 HB3 TYR 38 -4.132 -3.921 -2.597 297 HB3 TYR 38 HB2 TYR 38 -4.687 -5.381 -1.778 298 HD1 TYR 38 HD2 TYR 38 -4.884 -1.705 -1.880 299 HD2 TYR 38 HD1 TYR 38 -6.243 -5.264 0.103 300 HE1 TYR 38 HE2 TYR 38 -6.678 -0.401 -0.769 301 HE2 TYR 38 HE1 TYR 38 -8.037 -3.960 1.214 302 HH TYR 38 HH TYR 38 -8.064 -0.618 1.349 303 H SER 39 H SER 39 -2.204 -6.677 -0.226 304 HA SER 39 HA SER 39 0.040 -6.496 -2.165 305 HB2 SER 39 HB3 SER 39 1.179 -7.811 -0.719 306 HB3 SER 39 HB2 SER 39 -0.138 -7.526 0.415 307 HG SER 39 HG SER 39 -1.184 -9.362 -0.583 308 HA PRO 40 HA PRO 40 -1.355 -9.390 -5.160 309 HB2 PRO 40 HB3 PRO 40 0.436 -11.542 -4.137 310 HB3 PRO 40 HB2 PRO 40 0.322 -10.846 -5.765 311 HG2 PRO 40 HG3 PRO 40 2.353 -10.258 -4.158 312 HG3 PRO 40 HG2 PRO 40 1.643 -9.042 -5.233 313 HD2 PRO 40 HD3 PRO 40 1.319 -9.348 -2.268 314 HD3 PRO 40 HD2 PRO 40 1.372 -7.863 -3.242 315 H SER 41 H SER 41 -1.117 -10.766 -1.910 316 HA SER 41 HA SER 41 -3.143 -12.820 -2.532 317 HB2 SER 41 HB3 SER 41 -1.684 -12.102 0.026 318 HB3 SER 41 HB2 SER 41 -2.860 -13.407 -0.103 319 HG SER 41 HG SER 41 -1.529 -14.381 -1.642 320 H GLY 42 H GLY 42 -3.374 -9.627 -2.120 321 HA2 GLY 42 HA2 GLY 42 -5.309 -8.330 -1.690 322 HA3 GLY 42 HA3 GLY 42 -6.129 -9.795 -1.146 323 H LYS 43 H LYS 43 -3.093 -9.459 0.313 324 HA LYS 43 HA LYS 43 -4.201 -9.157 2.938 325 HB2 LYS 43 HB3 LYS 43 -2.030 -10.225 2.602 326 HB3 LYS 43 HB2 LYS 43 -1.369 -8.730 1.937 327 HG2 LYS 43 HG3 LYS 43 -1.788 -7.592 4.095 328 HG3 LYS 43 HG2 LYS 43 -2.414 -9.101 4.760 329 HD2 LYS 43 HD3 LYS 43 -0.267 -10.187 4.485 330 HD3 LYS 43 HD2 LYS 43 0.377 -8.788 3.622 331 HE2 LYS 43 HE3 LYS 43 0.119 -7.404 5.635 332 HE3 LYS 43 HE2 LYS 43 -0.575 -8.774 6.502 333 HZ1 LYS 43 HZ1 LYS 43 1.610 -9.934 5.792 334 HZ2 LYS 43 HZ2 LYS 43 1.619 -8.876 7.121 335 HZ3 LYS 43 HZ3 LYS 43 2.194 -8.352 5.611 336 H LYS 44 H LYS 44 -4.963 -7.321 3.862 337 HA LYS 44 HA LYS 44 -4.219 -4.708 2.668 338 HB2 LYS 44 HB3 LYS 44 -6.028 -3.917 4.360 339 HB3 LYS 44 HB2 LYS 44 -6.554 -4.838 2.950 340 HG2 LYS 44 HG3 LYS 44 -6.801 -6.836 4.211 341 HG3 LYS 44 HG2 LYS 44 -5.886 -6.184 5.571 342 HD2 LYS 44 HD3 LYS 44 -8.228 -6.111 6.163 343 HD3 LYS 44 HD2 LYS 44 -7.697 -4.456 5.864 344 HE2 LYS 44 HE3 LYS 44 -8.734 -4.393 3.726 345 HE3 LYS 44 HE2 LYS 44 -8.944 -6.144 3.692 346 HZ1 LYS 44 HZ1 LYS 44 -10.308 -5.649 5.854 347 HZ2 LYS 44 HZ2 LYS 44 -11.018 -5.492 4.318 348 HZ3 LYS 44 HZ3 LYS 44 -10.472 -4.114 5.149 349 H PHE 45 H PHE 45 -2.740 -3.417 3.657 350 HA PHE 45 HA PHE 45 -2.313 -3.721 6.586 351 HB2 PHE 45 HB3 PHE 45 0.211 -3.463 6.025 352 HB3 PHE 45 HB2 PHE 45 -0.527 -5.049 5.805 353 HD1 PHE 45 HD2 PHE 45 -1.570 -5.508 3.434 354 HD2 PHE 45 HD1 PHE 45 1.372 -2.485 4.245 355 HE1 PHE 45 HE2 PHE 45 -0.953 -5.463 1.032 356 HE2 PHE 45 HE1 PHE 45 1.989 -2.439 1.843 357 HZ PHE 45 HZ PHE 45 0.826 -3.929 0.237 358 H ARG 46 H ARG 46 -1.646 -1.786 7.597 359 HA ARG 46 HA ARG 46 -1.285 0.581 5.816 360 HB2 ARG 46 HB3 ARG 46 -2.683 1.885 7.482 361 HB3 ARG 46 HB2 ARG 46 -3.585 0.715 6.518 362 HG2 ARG 46 HG3 ARG 46 -3.411 -0.925 8.368 363 HG3 ARG 46 HG2 ARG 46 -2.556 0.275 9.337 364 HD2 ARG 46 HD3 ARG 46 -4.513 1.779 9.195 365 HD3 ARG 46 HD2 ARG 46 -5.371 0.566 8.246 366 HE ARG 46 HE ARG 46 -4.884 0.465 11.139 367 HH11 ARG 46 HH21 ARG 46 -5.649 -1.195 8.216 368 HH12 ARG 46 HH22 ARG 46 -6.425 -2.521 9.014 369 HH21 ARG 46 HH11 ARG 46 -5.894 -1.257 12.199 370 HH22 ARG 46 HH12 ARG 46 -6.564 -2.556 11.271 371 H SER 47 H SER 47 0.908 -0.582 6.841 372 HA SER 47 HA SER 47 1.885 1.431 8.728 373 HB2 SER 47 HB3 SER 47 2.200 0.116 10.598 374 HB3 SER 47 HB2 SER 47 0.743 -0.647 9.970 375 HG SER 47 HG SER 47 1.895 -2.325 9.305 376 H LYS 48 H LYS 48 4.152 1.588 8.639 377 HA LYS 48 HA LYS 48 5.416 0.435 6.315 378 HB2 LYS 48 HB3 LYS 48 5.928 2.617 7.865 379 HB3 LYS 48 HB2 LYS 48 7.161 1.502 8.454 380 HG2 LYS 48 HG3 LYS 48 8.277 2.466 6.657 381 HG3 LYS 48 HG2 LYS 48 7.551 1.059 5.879 382 HD2 LYS 48 HD3 LYS 48 5.559 2.559 5.327 383 HD3 LYS 48 HD2 LYS 48 6.566 3.917 5.825 384 HE2 LYS 48 HE3 LYS 48 8.218 2.440 4.130 385 HE3 LYS 48 HE2 LYS 48 6.637 2.379 3.349 386 HZ1 LYS 48 HZ1 LYS 48 7.206 4.384 2.577 387 HZ2 LYS 48 HZ2 LYS 48 8.412 4.620 3.751 388 HZ3 LYS 48 HZ3 LYS 48 6.787 4.946 4.122 389 HA PRO 49 HA PRO 49 7.708 -2.087 9.885 390 HB2 PRO 49 HB3 PRO 49 5.316 -2.393 11.637 391 HB3 PRO 49 HB2 PRO 49 7.017 -2.160 12.079 392 HG2 PRO 49 HG3 PRO 49 5.281 -0.187 12.339 393 HG3 PRO 49 HG2 PRO 49 6.927 0.122 11.760 394 HD2 PRO 49 HD3 PRO 49 4.370 -0.029 10.148 395 HD3 PRO 49 HD2 PRO 49 5.745 1.079 9.946 396 H GLN 50 H GLN 50 4.186 -2.686 9.567 397 HA GLN 50 HA GLN 50 4.441 -5.540 9.380 398 HB2 GLN 50 HB3 GLN 50 2.306 -4.398 9.920 399 HB3 GLN 50 HB2 GLN 50 2.254 -3.746 8.282 400 HG2 GLN 50 HG2 GLN 50 2.103 -5.966 7.333 401 HG3 GLN 50 HG3 GLN 50 2.373 -6.707 8.911 402 HE21 GLN 50 HE21 GLN 50 0.149 -4.145 7.653 403 HE22 GLN 50 HE22 GLN 50 -1.243 -4.806 8.366 404 H LEU 51 H LEU 51 4.413 -2.954 6.952 405 HA LEU 51 HA LEU 51 4.296 -4.657 4.652 406 HB2 LEU 51 HB2 LEU 51 3.881 -2.261 4.458 407 HB3 LEU 51 HB3 LEU 51 5.521 -1.904 5.003 408 HG LEU 51 HG LEU 51 6.461 -2.979 3.032 409 HD11 LEU 51 HD11 LEU 51 5.084 -4.773 2.480 410 HD12 LEU 51 HD12 LEU 51 4.634 -3.611 1.231 411 HD13 LEU 51 HD13 LEU 51 3.607 -3.823 2.650 412 HD21 LEU 51 HD21 LEU 51 5.726 -0.606 2.852 413 HD22 LEU 51 HD22 LEU 51 4.161 -1.156 2.255 414 HD23 LEU 51 HD23 LEU 51 5.619 -1.450 1.307 415 H ALA 52 H ALA 52 7.062 -3.272 6.436 416 HA ALA 52 HA ALA 52 9.074 -4.423 4.741 417 HB1 ALA 52 HB1 ALA 52 10.590 -4.011 6.696 418 HB2 ALA 52 HB2 ALA 52 9.174 -3.561 7.646 419 HB3 ALA 52 HB3 ALA 52 9.639 -2.598 6.243 420 H ARG 53 H ARG 53 7.569 -5.539 7.775 421 HA ARG 53 HA ARG 53 9.132 -7.861 8.166 422 HB2 ARG 53 HB3 ARG 53 7.391 -6.933 9.748 423 HB3 ARG 53 HB2 ARG 53 6.159 -7.644 8.705 424 HG2 ARG 53 HG3 ARG 53 6.460 -9.372 10.223 425 HG3 ARG 53 HG2 ARG 53 7.642 -9.824 8.995 426 HD2 ARG 53 HD3 ARG 53 8.666 -9.936 11.220 427 HD3 ARG 53 HD2 ARG 53 9.403 -8.637 10.284 428 HE ARG 53 HE ARG 53 7.158 -7.806 11.990 429 HH11 ARG 53 HH21 ARG 53 10.549 -8.284 11.586 430 HH12 ARG 53 HH22 ARG 53 10.991 -7.160 12.827 431 HH21 ARG 53 HH11 ARG 53 7.715 -6.335 13.612 432 HH22 ARG 53 HH12 ARG 53 9.386 -6.056 13.974 433 H TYR 54 H TYR 54 6.210 -7.396 6.183 434 HA TYR 54 HA TYR 54 5.897 -10.116 5.392 435 HB2 TYR 54 HB3 TYR 54 4.181 -8.366 5.009 436 HB3 TYR 54 HB2 TYR 54 5.233 -7.614 3.810 437 HD1 TYR 54 HD1 TYR 54 5.736 -8.752 1.677 438 HD2 TYR 54 HD2 TYR 54 3.011 -10.436 4.539 439 HE1 TYR 54 HE1 TYR 54 4.879 -10.308 -0.053 440 HE2 TYR 54 HE2 TYR 54 2.154 -11.991 2.808 441 HH TYR 54 HH TYR 54 3.728 -12.609 -0.048 442 H LEU 55 H LEU 55 7.548 -7.427 3.693 443 HA LEU 55 HA LEU 55 8.756 -9.344 1.810 444 HB2 LEU 55 HB2 LEU 55 9.797 -7.298 0.827 445 HB3 LEU 55 HB3 LEU 55 8.042 -7.175 0.940 446 HG LEU 55 HG LEU 55 8.763 -6.181 3.368 447 HD11 LEU 55 HD11 LEU 55 11.201 -6.408 2.324 448 HD12 LEU 55 HD12 LEU 55 10.768 -5.024 3.327 449 HD13 LEU 55 HD13 LEU 55 10.766 -4.874 1.571 450 HD21 LEU 55 HD21 LEU 55 8.527 -4.703 0.728 451 HD22 LEU 55 HD22 LEU 55 8.423 -3.934 2.312 452 HD23 LEU 55 HD23 LEU 55 7.206 -5.114 1.825 453 H GLY 56 H GLY 56 9.415 -8.498 4.915 454 HA2 GLY 56 HA2 GLY 56 11.381 -8.404 6.217 455 HA3 GLY 56 HA3 GLY 56 11.880 -9.731 5.167 456 H GLY 57 H GLY 57 13.821 -9.345 4.237 457 HA2 GLY 57 HA2 GLY 57 14.547 -6.507 3.643 458 HA3 GLY 57 HA3 GLY 57 15.721 -7.782 3.973 459 H SER 58 H SER 58 12.906 -8.244 1.910 460 HA SER 58 HA SER 58 14.710 -8.994 -0.299 461 HB2 SER 58 HB3 SER 58 12.743 -10.407 0.238 462 HB3 SER 58 HB2 SER 58 11.680 -9.050 -0.124 463 HG SER 58 HG SER 58 12.063 -9.291 -2.205 464 H MET 59 H MET 59 12.764 -6.305 0.678 465 HA MET 59 HA MET 59 13.450 -4.949 -1.881 466 HB2 MET 59 HB3 MET 59 10.722 -5.290 -0.668 467 HB3 MET 59 HB2 MET 59 11.088 -3.831 -1.590 468 HG2 MET 59 HG3 MET 59 11.527 -6.644 -2.630 469 HG3 MET 59 HG2 MET 59 10.097 -5.674 -2.982 470 HE1 MET 59 HE1 MET 59 11.347 -2.534 -4.399 471 HE2 MET 59 HE2 MET 59 10.109 -3.481 -3.576 472 HE3 MET 59 HE3 MET 59 10.336 -3.663 -5.313 473 H ASP 60 H ASP 60 14.320 -2.959 -1.494 474 HA ASP 60 HA ASP 60 14.296 -1.946 1.284 475 HB2 ASP 60 HB2 ASP 60 16.421 -2.019 -0.023 476 HB3 ASP 60 HB3 ASP 60 15.728 -0.865 -1.162 477 H LEU 61 H LEU 61 12.448 -0.815 1.746 478 HA LEU 61 HA LEU 61 11.242 0.903 -0.344 479 HB2 LEU 61 HB2 LEU 61 10.311 0.210 2.460 480 HB3 LEU 61 HB3 LEU 61 9.398 1.173 1.299 481 HG LEU 61 HG LEU 61 10.311 -1.683 0.842 482 HD11 LEU 61 HD11 LEU 61 7.821 -2.131 0.978 483 HD12 LEU 61 HD12 LEU 61 7.631 -0.496 1.611 484 HD13 LEU 61 HD13 LEU 61 8.573 -1.685 2.510 485 HD21 LEU 61 HD21 LEU 61 8.920 0.392 -0.809 486 HD22 LEU 61 HD22 LEU 61 8.422 -1.288 -0.994 487 HD23 LEU 61 HD23 LEU 61 10.095 -0.826 -1.301 488 H SER 62 H SER 62 13.697 1.270 1.762 489 HA SER 62 HA SER 62 13.316 3.491 3.357 490 HB2 SER 62 HB3 SER 62 15.505 2.364 3.067 491 HB3 SER 62 HB2 SER 62 15.653 3.078 1.464 492 HG SER 62 HG SER 62 16.355 4.811 2.403 493 H THR 63 H THR 63 13.676 3.478 -0.180 494 HA THR 63 HA THR 63 13.148 6.405 -0.215 495 HB THR 63 HB THR 63 13.721 6.249 -2.616 496 HG1 THR 63 HG1 THR 63 13.111 3.736 -2.248 497 HG21 THR 63 HG21 THR 63 15.584 6.666 -1.192 498 HG22 THR 63 HG22 THR 63 16.105 5.381 -2.281 499 HG23 THR 63 HG23 THR 63 15.621 4.997 -0.629 500 H PHE 64 H PHE 64 10.954 4.991 0.645 501 HA PHE 64 HA PHE 64 9.173 5.036 -1.760 502 HB2 PHE 64 HB3 PHE 64 9.464 2.734 -0.900 503 HB3 PHE 64 HB2 PHE 64 8.925 3.266 0.693 504 HD1 PHE 64 HD1 PHE 64 7.868 3.043 -2.883 505 HD2 PHE 64 HD2 PHE 64 6.624 3.395 1.214 506 HE1 PHE 64 HE1 PHE 64 5.508 2.723 -3.573 507 HE2 PHE 64 HE2 PHE 64 4.263 3.074 0.524 508 HZ PHE 64 HZ PHE 64 3.705 2.739 -1.869 509 H ASP 65 H ASP 65 7.474 6.435 -1.594 510 HA ASP 65 HA ASP 65 7.159 7.929 0.935 511 HB2 ASP 65 HB2 ASP 65 7.239 9.078 -1.310 512 HB3 ASP 65 HB3 ASP 65 5.690 8.322 -1.687 513 H PHE 66 H PHE 66 5.927 6.796 2.398 514 HA PHE 66 HA PHE 66 3.760 5.044 1.580 515 HB2 PHE 66 HB3 PHE 66 5.121 4.747 3.678 516 HB3 PHE 66 HB2 PHE 66 4.317 6.171 4.340 517 HD1 PHE 66 HD2 PHE 66 3.662 2.785 2.902 518 HD2 PHE 66 HD1 PHE 66 2.178 6.005 5.328 519 HE1 PHE 66 HE2 PHE 66 1.733 1.383 3.583 520 HE2 PHE 66 HE1 PHE 66 0.249 4.602 6.008 521 HZ PHE 66 HZ PHE 66 0.028 2.291 5.138 522 H ARG 67 H ARG 67 3.883 8.221 3.225 523 HA ARG 67 HA ARG 67 1.129 8.659 3.526 524 HB2 ARG 67 HB3 ARG 67 3.118 10.778 2.665 525 HB3 ARG 67 HB2 ARG 67 1.631 11.020 3.585 526 HG2 ARG 67 HG3 ARG 67 4.082 9.488 4.504 527 HG3 ARG 67 HG2 ARG 67 3.534 11.050 5.114 528 HD2 ARG 67 HD3 ARG 67 2.256 8.342 5.465 529 HD3 ARG 67 HD2 ARG 67 2.699 9.519 6.701 530 HE ARG 67 HE ARG 67 0.792 10.829 5.165 531 HH11 ARG 67 HH21 ARG 67 1.045 7.847 6.874 532 HH12 ARG 67 HH22 ARG 67 -0.642 7.771 7.261 533 HH21 ARG 67 HH11 ARG 67 -1.412 10.750 5.659 534 HH22 ARG 67 HH12 ARG 67 -2.034 9.414 6.573 535 H THR 68 H THR 68 3.143 9.067 0.635 536 HA THR 68 HA THR 68 0.722 9.867 -0.903 537 HB THR 68 HB THR 68 2.220 10.617 -2.615 538 HG1 THR 68 HG1 THR 68 4.576 10.198 -2.083 539 HG21 THR 68 HG21 THR 68 3.383 11.205 0.119 540 HG22 THR 68 HG22 THR 68 2.127 12.124 -0.708 541 HG23 THR 68 HG23 THR 68 3.771 12.108 -1.345 542 H GLY 69 H GLY 69 2.591 7.131 -0.171 543 HA2 GLY 69 HA2 GLY 69 2.532 4.940 -1.010 544 HA3 GLY 69 HA3 GLY 69 1.035 5.398 -1.823 545 H LYS 70 H LYS 70 4.145 6.988 -2.334 546 HA LYS 70 HA LYS 70 4.224 5.779 -5.068 547 HB2 LYS 70 HB3 LYS 70 4.691 8.668 -4.275 548 HB3 LYS 70 HB2 LYS 70 5.083 8.009 -5.864 549 HG2 LYS 70 HG3 LYS 70 2.722 7.342 -6.168 550 HG3 LYS 70 HG2 LYS 70 2.332 8.024 -4.588 551 HD2 LYS 70 HD3 LYS 70 2.994 10.248 -5.336 552 HD3 LYS 70 HD2 LYS 70 3.521 9.597 -6.889 553 HE2 LYS 70 HE3 LYS 70 1.349 10.472 -7.301 554 HE3 LYS 70 HE2 LYS 70 1.119 8.730 -7.160 555 HZ1 LYS 70 HZ1 LYS 70 0.354 8.968 -4.948 556 HZ2 LYS 70 HZ2 LYS 70 -0.485 10.121 -5.874 557 HZ3 LYS 70 HZ3 LYS 70 0.808 10.600 -4.881 558 H MET 71 H MET 71 6.327 5.382 -5.884 559 HA MET 71 HA MET 71 8.385 5.032 -3.846 560 HB2 MET 71 HB3 MET 71 7.938 3.508 -5.873 561 HB3 MET 71 HB2 MET 71 8.773 4.733 -6.828 562 HG2 MET 71 HG3 MET 71 10.622 3.510 -6.267 563 HG3 MET 71 HG2 MET 71 10.532 4.460 -4.785 564 HE1 MET 71 HE1 MET 71 11.752 3.100 -3.458 565 HE2 MET 71 HE2 MET 71 12.088 1.676 -4.441 566 HE3 MET 71 HE3 MET 71 11.376 1.486 -2.841 567 H LEU 72 H LEU 72 10.242 6.267 -3.577 568 HA LEU 72 HA LEU 72 11.564 8.206 -3.676 569 HB2 LEU 72 HB2 LEU 72 12.262 7.196 -5.806 570 HB3 LEU 72 HB3 LEU 72 10.882 7.933 -6.621 571 HG LEU 72 HG LEU 72 11.731 10.175 -6.050 572 HD11 LEU 72 HD11 LEU 72 12.918 9.993 -4.055 573 HD12 LEU 72 HD12 LEU 72 14.237 10.092 -5.222 574 HD13 LEU 72 HD13 LEU 72 13.754 8.527 -4.567 575 HD21 LEU 72 HD21 LEU 72 13.997 8.567 -7.247 576 HD22 LEU 72 HD22 LEU 72 13.514 10.219 -7.634 577 HD23 LEU 72 HD23 LEU 72 12.497 8.864 -8.124 Start of MODEL 13 1 H1 GLY 1 H1 GLY 1 -18.523 1.519 -8.986 2 H2 GLY 1 H2 GLY 1 -20.160 1.179 -8.685 3 H3 GLY 1 H3 GLY 1 -19.176 1.795 -7.444 4 HA2 GLY 1 HA2 GLY 1 -19.014 3.552 -9.737 5 HA3 GLY 1 HA3 GLY 1 -20.682 3.307 -9.131 6 H SER 2 H SER 2 -20.432 2.803 -6.485 7 HA SER 2 HA SER 2 -21.658 5.333 -5.908 8 HB2 SER 2 HB3 SER 2 -22.249 3.430 -4.555 9 HB3 SER 2 HB2 SER 2 -20.568 3.147 -4.115 10 HG SER 2 HG SER 2 -20.610 5.191 -3.060 11 H MET 3 H MET 3 -20.821 7.131 -4.772 12 HA MET 3 HA MET 3 -19.105 8.733 -4.466 13 HB2 MET 3 HB3 MET 3 -19.131 6.931 -2.454 14 HB3 MET 3 HB2 MET 3 -17.488 6.683 -3.043 15 HG2 MET 3 HG3 MET 3 -17.154 9.182 -2.924 16 HG3 MET 3 HG2 MET 3 -18.723 9.291 -2.124 17 HE1 MET 3 HE1 MET 3 -16.979 10.631 -0.858 18 HE2 MET 3 HE2 MET 3 -15.372 9.915 -0.762 19 HE3 MET 3 HE3 MET 3 -16.362 10.038 0.690 20 H GLU 4 H GLU 4 -16.297 8.226 -4.091 21 HA GLU 4 HA GLU 4 -15.448 6.898 -6.603 22 HB2 GLU 4 HB3 GLU 4 -14.909 9.804 -5.922 23 HB3 GLU 4 HB2 GLU 4 -14.048 8.915 -7.178 24 HG2 GLU 4 HG2 GLU 4 -16.171 8.467 -8.338 25 HG3 GLU 4 HG3 GLU 4 -17.053 9.322 -7.072 26 H ARG 5 H ARG 5 -14.330 5.366 -5.325 27 HA ARG 5 HA ARG 5 -12.398 6.316 -3.314 28 HB2 ARG 5 HB3 ARG 5 -12.996 3.519 -4.330 29 HB3 ARG 5 HB2 ARG 5 -11.959 3.908 -2.956 30 HG2 ARG 5 HG3 ARG 5 -13.857 4.950 -1.794 31 HG3 ARG 5 HG2 ARG 5 -14.902 4.612 -3.175 32 HD2 ARG 5 HD3 ARG 5 -13.432 2.481 -1.598 33 HD3 ARG 5 HD2 ARG 5 -15.118 2.925 -1.328 34 HE ARG 5 HE ARG 5 -14.928 2.346 -4.061 35 HH11 ARG 5 HH21 ARG 5 -14.328 0.796 -1.040 36 HH12 ARG 5 HH22 ARG 5 -14.693 -0.791 -1.631 37 HH21 ARG 5 HH11 ARG 5 -15.409 0.282 -4.849 38 HH22 ARG 5 HH12 ARG 5 -15.305 -1.082 -3.787 39 H LYS 6 H LYS 6 -10.165 6.305 -3.594 40 HA LYS 6 HA LYS 6 -9.185 6.327 -6.336 41 HB2 LYS 6 HB3 LYS 6 -7.805 6.576 -3.651 42 HB3 LYS 6 HB2 LYS 6 -6.947 6.676 -5.190 43 HG2 LYS 6 HG3 LYS 6 -7.452 8.930 -4.577 44 HG3 LYS 6 HG2 LYS 6 -8.605 8.504 -5.843 45 HD2 LYS 6 HD3 LYS 6 -10.381 8.264 -4.317 46 HD3 LYS 6 HD2 LYS 6 -9.294 8.094 -2.939 47 HE2 LYS 6 HE3 LYS 6 -8.628 10.443 -3.142 48 HE3 LYS 6 HE2 LYS 6 -9.647 10.627 -4.568 49 HZ1 LYS 6 HZ1 LYS 6 -10.825 11.440 -2.676 50 HZ2 LYS 6 HZ2 LYS 6 -10.540 10.009 -1.806 51 HZ3 LYS 6 HZ3 LYS 6 -11.560 9.992 -3.164 52 H ARG 7 H ARG 7 -7.966 4.743 -7.362 53 HA ARG 7 HA ARG 7 -6.957 2.430 -5.869 54 HB2 ARG 7 HB3 ARG 7 -9.374 1.892 -6.233 55 HB3 ARG 7 HB2 ARG 7 -9.106 2.033 -7.971 56 HG2 ARG 7 HG3 ARG 7 -7.461 0.226 -7.901 57 HG3 ARG 7 HG2 ARG 7 -7.628 0.115 -6.149 58 HD2 ARG 7 HD3 ARG 7 -10.073 -0.390 -6.492 59 HD3 ARG 7 HD2 ARG 7 -9.753 -0.479 -8.224 60 HE ARG 7 HE ARG 7 -7.909 -2.201 -6.929 61 HH11 ARG 7 HH21 ARG 7 -11.292 -1.804 -7.463 62 HH12 ARG 7 HH22 ARG 7 -11.635 -3.501 -7.408 63 HH21 ARG 7 HH11 ARG 7 -8.338 -4.420 -6.855 64 HH22 ARG 7 HH12 ARG 7 -9.963 -4.982 -7.065 65 H TRP 8 H TRP 8 -4.935 3.018 -6.784 66 HA TRP 8 HA TRP 8 -4.751 2.565 -9.737 67 HB2 TRP 8 HB3 TRP 8 -2.516 3.998 -9.236 68 HB3 TRP 8 HB2 TRP 8 -4.048 4.748 -9.685 69 HD1 TRP 8 HD1 TRP 8 -2.508 3.458 -6.365 70 HE1 TRP 8 HE1 TRP 8 -2.979 5.214 -4.537 71 HE3 TRP 8 HE3 TRP 8 -5.073 6.921 -9.106 72 HZ2 TRP 8 HZ2 TRP 8 -4.272 7.753 -4.272 73 HZ3 TRP 8 HZ3 TRP 8 -5.913 8.996 -8.042 74 HH2 TRP 8 HH2 TRP 8 -5.517 9.416 -5.631 75 H GLU 9 H GLU 9 -2.939 1.329 -10.446 76 HA GLU 9 HA GLU 9 -2.065 -0.739 -8.679 77 HB2 GLU 9 HB3 GLU 9 -0.954 0.224 -11.330 78 HB3 GLU 9 HB2 GLU 9 -0.396 -1.231 -10.505 79 HG2 GLU 9 HG2 GLU 9 -2.667 -2.166 -10.571 80 HG3 GLU 9 HG3 GLU 9 -3.256 -0.702 -11.362 81 H CYS 10 H CYS 10 0.021 -1.072 -7.723 82 HA CYS 10 HA CYS 10 1.365 1.467 -6.995 83 HB2 CYS 10 HB3 CYS 10 1.997 -1.290 -5.927 84 HB3 CYS 10 HB2 CYS 10 2.321 0.270 -5.171 85 HG CYS 10 HG CYS 10 -0.268 0.554 -4.793 86 HA PRO 11 HA PRO 11 4.462 0.321 -10.055 87 HB2 PRO 11 HB3 PRO 11 5.735 2.732 -10.056 88 HB3 PRO 11 HB2 PRO 11 4.214 2.445 -10.920 89 HG2 PRO 11 HG3 PRO 11 4.692 3.830 -8.343 90 HG3 PRO 11 HG2 PRO 11 3.500 4.167 -9.606 91 HD2 PRO 11 HD3 PRO 11 2.952 2.838 -7.221 92 HD3 PRO 11 HD2 PRO 11 1.950 2.737 -8.687 93 H ALA 12 H ALA 12 5.220 2.004 -7.003 94 HA ALA 12 HA ALA 12 8.013 1.332 -6.989 95 HB1 ALA 12 HB1 ALA 12 6.063 2.078 -4.803 96 HB2 ALA 12 HB2 ALA 12 7.313 3.085 -5.531 97 HB3 ALA 12 HB3 ALA 12 7.763 1.748 -4.474 98 H LEU 13 H LEU 13 5.121 -0.320 -5.787 99 HA LEU 13 HA LEU 13 6.749 -2.490 -4.630 100 HB2 LEU 13 HB2 LEU 13 3.771 -1.987 -4.821 101 HB3 LEU 13 HB3 LEU 13 4.439 -3.488 -4.178 102 HG LEU 13 HG LEU 13 3.942 -1.814 -2.393 103 HD11 LEU 13 HD11 LEU 13 5.797 -2.420 -1.169 104 HD12 LEU 13 HD12 LEU 13 6.920 -1.988 -2.460 105 HD13 LEU 13 HD13 LEU 13 6.021 -3.503 -2.543 106 HD21 LEU 13 HD21 LEU 13 5.058 0.265 -2.291 107 HD22 LEU 13 HD22 LEU 13 4.625 0.120 -3.994 108 HD23 LEU 13 HD23 LEU 13 6.272 -0.228 -3.470 109 HA PRO 14 HA PRO 14 6.901 -5.249 -8.041 110 HB2 PRO 14 HB3 PRO 14 5.543 -7.278 -6.331 111 HB3 PRO 14 HB2 PRO 14 7.085 -7.385 -7.200 112 HG2 PRO 14 HG3 PRO 14 6.987 -7.066 -4.555 113 HG3 PRO 14 HG2 PRO 14 8.250 -6.314 -5.543 114 HD2 PRO 14 HD3 PRO 14 5.887 -5.046 -4.230 115 HD3 PRO 14 HD2 PRO 14 7.489 -4.370 -4.595 116 H GLN 15 H GLN 15 5.577 -5.853 -9.770 117 HA GLN 15 HA GLN 15 2.995 -4.859 -10.061 118 HB2 GLN 15 HB3 GLN 15 4.159 -7.362 -11.321 119 HB3 GLN 15 HB2 GLN 15 2.711 -6.532 -11.887 120 HG2 GLN 15 HG2 GLN 15 5.438 -5.230 -11.653 121 HG3 GLN 15 HG3 GLN 15 4.773 -5.879 -13.152 122 HE21 GLN 15 HE21 GLN 15 5.196 -2.990 -11.666 123 HE22 GLN 15 HE22 GLN 15 3.821 -2.160 -12.213 124 H GLY 16 H GLY 16 1.001 -5.459 -9.320 125 HA2 GLY 16 HA2 GLY 16 -0.536 -7.416 -8.880 126 HA3 GLY 16 HA3 GLY 16 0.795 -8.117 -7.960 127 H TRP 17 H TRP 17 1.436 -5.282 -6.988 128 HA TRP 17 HA TRP 17 -0.314 -5.411 -4.632 129 HB2 TRP 17 HB3 TRP 17 2.039 -3.665 -5.387 130 HB3 TRP 17 HB2 TRP 17 1.119 -3.430 -3.901 131 HD1 TRP 17 HD1 TRP 17 2.536 -6.584 -5.657 132 HE1 TRP 17 HE1 TRP 17 3.774 -7.990 -3.888 133 HE3 TRP 17 HE3 TRP 17 1.897 -3.605 -1.560 134 HZ2 TRP 17 HZ2 TRP 17 4.409 -7.868 -1.101 135 HZ3 TRP 17 HZ3 TRP 17 2.828 -4.273 0.638 136 HH2 TRP 17 HH2 TRP 17 4.083 -6.398 0.873 137 H GLU 18 H GLU 18 -1.746 -3.728 -3.996 138 HA GLU 18 HA GLU 18 -2.379 -1.740 -6.139 139 HB2 GLU 18 HB3 GLU 18 -4.307 -3.381 -4.470 140 HB3 GLU 18 HB2 GLU 18 -4.790 -2.028 -5.493 141 HG2 GLU 18 HG2 GLU 18 -3.846 -3.175 -7.464 142 HG3 GLU 18 HG3 GLU 18 -3.369 -4.534 -6.442 143 H ARG 19 H ARG 19 -3.090 0.306 -5.380 144 HA ARG 19 HA ARG 19 -2.974 0.694 -2.419 145 HB2 ARG 19 HB3 ARG 19 -0.856 1.486 -3.320 146 HB3 ARG 19 HB2 ARG 19 -1.693 2.421 -4.559 147 HG2 ARG 19 HG3 ARG 19 -2.856 3.657 -2.651 148 HG3 ARG 19 HG2 ARG 19 -1.692 2.890 -1.571 149 HD2 ARG 19 HD3 ARG 19 -0.891 5.113 -2.243 150 HD3 ARG 19 HD2 ARG 19 0.162 3.859 -2.897 151 HE ARG 19 HE ARG 19 -1.869 4.477 -4.819 152 HH11 ARG 19 HH21 ARG 19 0.950 5.735 -3.284 153 HH12 ARG 19 HH22 ARG 19 1.401 6.728 -4.630 154 HH21 ARG 19 HH11 ARG 19 -1.297 5.767 -6.584 155 HH22 ARG 19 HH12 ARG 19 0.129 6.746 -6.497 156 H GLU 20 H GLU 20 -4.783 1.700 -1.685 157 HA GLU 20 HA GLU 20 -6.300 3.425 -3.599 158 HB2 GLU 20 HB3 GLU 20 -7.774 1.655 -3.555 159 HB3 GLU 20 HB2 GLU 20 -7.224 1.103 -1.972 160 HG2 GLU 20 HG2 GLU 20 -8.489 2.750 -0.832 161 HG3 GLU 20 HG3 GLU 20 -8.734 3.697 -2.301 162 H GLU 21 H GLU 21 -7.042 5.344 -2.723 163 HA GLU 21 HA GLU 21 -6.283 5.871 0.108 164 HB2 GLU 21 HB3 GLU 21 -5.437 7.380 -1.737 165 HB3 GLU 21 HB2 GLU 21 -7.107 7.872 -2.012 166 HG2 GLU 21 HG2 GLU 21 -7.281 8.675 0.294 167 HG3 GLU 21 HG3 GLU 21 -5.639 8.125 0.628 168 H VAL 22 H VAL 22 -7.831 6.672 1.583 169 HA VAL 22 HA VAL 22 -10.638 6.889 0.629 170 HB VAL 22 HB VAL 22 -10.017 5.276 3.097 171 HG11 VAL 22 HG21 VAL 22 -12.234 4.300 2.539 172 HG12 VAL 22 HG22 VAL 22 -12.327 5.357 1.130 173 HG13 VAL 22 HG23 VAL 22 -12.321 6.049 2.753 174 HG21 VAL 22 HG13 VAL 22 -8.787 4.117 1.382 175 HG22 VAL 22 HG11 VAL 22 -10.094 4.335 0.217 176 HG23 VAL 22 HG12 VAL 22 -10.307 3.249 1.591 177 HA PRO 23 HA PRO 23 -10.167 10.259 3.551 178 HB2 PRO 23 HB3 PRO 23 -12.470 11.540 2.902 179 HB3 PRO 23 HB2 PRO 23 -11.028 11.595 1.871 180 HG2 PRO 23 HG3 PRO 23 -13.516 10.003 1.563 181 HG3 PRO 23 HG2 PRO 23 -12.499 10.765 0.330 182 HD2 PRO 23 HD3 PRO 23 -12.425 8.039 0.976 183 HD3 PRO 23 HD2 PRO 23 -11.112 8.924 0.168 184 H ARG 24 H ARG 24 -11.003 10.660 5.623 185 HA ARG 24 HA ARG 24 -13.044 8.744 6.578 186 HB2 ARG 24 HB3 ARG 24 -12.373 10.143 8.791 187 HB3 ARG 24 HB2 ARG 24 -11.429 8.773 8.205 188 HG2 ARG 24 HG3 ARG 24 -9.951 10.680 8.642 189 HG3 ARG 24 HG2 ARG 24 -9.996 10.336 6.913 190 HD2 ARG 24 HD3 ARG 24 -12.075 12.216 7.827 191 HD3 ARG 24 HD2 ARG 24 -10.426 12.814 8.010 192 HE ARG 24 HE ARG 24 -10.313 11.945 5.469 193 HH11 ARG 24 HH21 ARG 24 -12.787 13.617 7.192 194 HH12 ARG 24 HH22 ARG 24 -13.394 14.436 5.791 195 HH21 ARG 24 HH11 ARG 24 -11.093 13.002 3.631 196 HH22 ARG 24 HH12 ARG 24 -12.435 14.088 3.774 197 H ARG 25 H ARG 25 -14.580 9.807 8.333 198 HA ARG 25 HA ARG 25 -15.607 12.390 7.229 199 HB2 ARG 25 HB3 ARG 25 -17.177 9.943 8.089 200 HB3 ARG 25 HB2 ARG 25 -17.910 11.516 7.772 201 HG2 ARG 25 HG3 ARG 25 -17.027 11.473 5.471 202 HG3 ARG 25 HG2 ARG 25 -16.282 9.905 5.783 203 HD2 ARG 25 HD3 ARG 25 -18.519 8.949 6.259 204 HD3 ARG 25 HD2 ARG 25 -19.251 10.512 5.892 205 HE ARG 25 HE ARG 25 -18.110 8.634 3.927 206 HH11 ARG 25 HH21 ARG 25 -19.276 11.780 4.720 207 HH12 ARG 25 HH22 ARG 25 -19.605 12.217 3.078 208 HH21 ARG 25 HH11 ARG 25 -18.534 9.186 1.777 209 HH22 ARG 25 HH12 ARG 25 -19.186 10.749 1.410 210 H SER 26 H SER 26 -13.897 11.655 9.623 211 HA SER 26 HA SER 26 -15.472 11.913 12.004 212 HB2 SER 26 HB3 SER 26 -13.356 12.448 13.111 213 HB3 SER 26 HB2 SER 26 -13.110 11.126 11.975 214 HG SER 26 HG SER 26 -11.747 12.354 10.969 215 H GLY 27 H GLY 27 -15.499 13.862 13.426 216 HA2 GLY 27 HA2 GLY 27 -16.493 16.156 12.045 217 HA3 GLY 27 HA3 GLY 27 -16.063 16.117 13.756 218 H LEU 28 H LEU 28 -14.033 16.889 14.394 219 HA LEU 28 HA LEU 28 -12.796 18.820 12.669 220 HB2 LEU 28 HB2 LEU 28 -11.830 17.549 15.249 221 HB3 LEU 28 HB3 LEU 28 -11.041 18.917 14.463 222 HG LEU 28 HG LEU 28 -13.945 18.898 15.335 223 HD11 LEU 28 HD11 LEU 28 -12.304 18.788 17.235 224 HD12 LEU 28 HD12 LEU 28 -13.246 20.278 17.204 225 HD13 LEU 28 HD13 LEU 28 -11.578 20.278 16.634 226 HD21 LEU 28 HD21 LEU 28 -12.121 20.848 13.978 227 HD22 LEU 28 HD22 LEU 28 -13.321 21.479 15.107 228 HD23 LEU 28 HD23 LEU 28 -13.836 20.542 13.703 229 H SER 29 H SER 29 -12.042 15.458 13.452 230 HA SER 29 HA SER 29 -9.430 15.470 12.211 231 HB2 SER 29 HB3 SER 29 -9.547 13.614 13.543 232 HB3 SER 29 HB2 SER 29 -11.288 13.453 13.336 233 HG SER 29 HG SER 29 -10.769 11.922 11.996 234 H ALA 30 H ALA 30 -11.890 16.453 10.668 235 HA ALA 30 HA ALA 30 -12.152 14.544 8.467 236 HB1 ALA 30 HB1 ALA 30 -13.608 16.176 7.466 237 HB2 ALA 30 HB2 ALA 30 -12.970 17.460 8.492 238 HB3 ALA 30 HB3 ALA 30 -13.955 16.178 9.197 239 H GLY 31 H GLY 31 -11.586 15.228 6.197 240 HA2 GLY 31 HA2 GLY 31 -10.175 16.331 4.623 241 HA3 GLY 31 HA3 GLY 31 -9.437 17.227 5.950 242 H HIS 32 H HIS 32 -9.240 14.448 7.343 243 HA HIS 32 HA HIS 32 -6.511 13.928 6.431 244 HB2 HIS 32 HB2 HIS 32 -8.274 12.591 8.503 245 HB3 HIS 32 HB3 HIS 32 -6.609 12.108 8.182 246 HD1 HIS 32 HD1 HIS 32 -8.608 15.140 9.309 247 HD2 HIS 32 HD2 HIS 32 -4.689 13.714 9.417 248 HE1 HIS 32 HE1 HIS 32 -7.298 16.747 10.769 249 HE2 HIS 32 HE2 HIS 32 -4.913 15.888 10.840 250 H ARG 33 H ARG 33 -5.971 12.484 4.867 251 HA ARG 33 HA ARG 33 -8.037 10.478 4.060 252 HB2 ARG 33 HB3 ARG 33 -5.786 11.735 2.459 253 HB3 ARG 33 HB2 ARG 33 -6.849 10.462 1.859 254 HG2 ARG 33 HG3 ARG 33 -8.442 11.967 1.357 255 HG3 ARG 33 HG2 ARG 33 -8.431 12.580 3.011 256 HD2 ARG 33 HD3 ARG 33 -7.853 14.385 1.460 257 HD3 ARG 33 HD2 ARG 33 -6.452 13.980 2.450 258 HE ARG 33 HE ARG 33 -6.503 12.507 -0.060 259 HH11 ARG 33 HH21 ARG 33 -5.713 15.459 1.539 260 HH12 ARG 33 HH22 ARG 33 -4.483 15.900 0.402 261 HH21 ARG 33 HH11 ARG 33 -4.900 13.067 -1.553 262 HH22 ARG 33 HH12 ARG 33 -4.022 14.546 -1.349 263 H ASP 34 H ASP 34 -7.540 8.443 4.697 264 HA ASP 34 HA ASP 34 -4.736 7.785 5.381 265 HB2 ASP 34 HB2 ASP 34 -7.352 6.302 5.757 266 HB3 ASP 34 HB3 ASP 34 -5.781 5.629 6.197 267 H VAL 35 H VAL 35 -3.504 6.317 4.219 268 HA VAL 35 HA VAL 35 -4.705 5.363 1.657 269 HB VAL 35 HB VAL 35 -1.753 5.405 2.264 270 HG11 VAL 35 HG21 VAL 35 -1.707 5.796 -0.229 271 HG12 VAL 35 HG22 VAL 35 -3.457 5.586 -0.237 272 HG13 VAL 35 HG23 VAL 35 -2.411 4.250 0.243 273 HG21 VAL 35 HG13 VAL 35 -2.600 7.658 2.787 274 HG22 VAL 35 HG11 VAL 35 -3.444 7.711 1.240 275 HG23 VAL 35 HG12 VAL 35 -1.682 7.683 1.281 276 H PHE 36 H PHE 36 -5.141 3.218 1.545 277 HA PHE 36 HA PHE 36 -3.745 1.406 3.465 278 HB2 PHE 36 HB3 PHE 36 -6.353 1.046 1.955 279 HB3 PHE 36 HB2 PHE 36 -5.643 -0.146 3.045 280 HD1 PHE 36 HD1 PHE 36 -7.234 3.179 2.818 281 HD2 PHE 36 HD2 PHE 36 -5.639 0.183 5.450 282 HE1 PHE 36 HE1 PHE 36 -8.275 4.327 4.754 283 HE2 PHE 36 HE2 PHE 36 -6.680 1.331 7.388 284 HZ PHE 36 HZ PHE 36 -7.998 3.402 7.038 285 H TYR 37 H TYR 37 -2.616 -0.372 2.676 286 HA TYR 37 HA TYR 37 -2.300 -0.466 -0.294 287 HB2 TYR 37 HB3 TYR 37 -0.426 -1.197 1.967 288 HB3 TYR 37 HB2 TYR 37 -0.120 -1.657 0.291 289 HD1 TYR 37 HD2 TYR 37 -0.588 1.225 2.588 290 HD2 TYR 37 HD1 TYR 37 0.626 -0.057 -1.328 291 HE1 TYR 37 HE2 TYR 37 0.335 3.481 2.135 292 HE2 TYR 37 HE1 TYR 37 1.548 2.199 -1.782 293 HH TYR 37 HH TYR 37 0.972 4.656 -0.779 294 H TYR 38 H TYR 38 -2.543 -2.447 -1.349 295 HA TYR 38 HA TYR 38 -3.353 -4.760 0.365 296 HB2 TYR 38 HB3 TYR 38 -4.554 -3.943 -2.300 297 HB3 TYR 38 HB2 TYR 38 -5.015 -5.357 -1.352 298 HD1 TYR 38 HD2 TYR 38 -5.015 -1.655 -1.450 299 HD2 TYR 38 HD1 TYR 38 -6.384 -5.159 0.623 300 HE1 TYR 38 HE2 TYR 38 -6.587 -0.261 -0.133 301 HE2 TYR 38 HE1 TYR 38 -7.958 -3.765 1.940 302 HH TYR 38 HH TYR 38 -8.930 -0.828 1.127 303 H SER 39 H SER 39 -2.469 -6.731 -0.223 304 HA SER 39 HA SER 39 -0.475 -6.652 -2.431 305 HB2 SER 39 HB3 SER 39 -0.566 -7.881 0.179 306 HB3 SER 39 HB2 SER 39 -0.330 -9.119 -1.052 307 HG SER 39 HG SER 39 1.445 -7.428 -0.093 308 HA PRO 40 HA PRO 40 -2.663 -9.329 -5.141 309 HB2 PRO 40 HB3 PRO 40 -0.831 -11.348 -5.628 310 HB3 PRO 40 HB2 PRO 40 -0.796 -9.750 -6.396 311 HG2 PRO 40 HG3 PRO 40 0.761 -10.762 -4.068 312 HG3 PRO 40 HG2 PRO 40 1.285 -9.745 -5.420 313 HD2 PRO 40 HD3 PRO 40 0.746 -8.665 -2.995 314 HD3 PRO 40 HD2 PRO 40 0.341 -7.797 -4.491 315 H SER 41 H SER 41 -1.396 -10.680 -2.200 316 HA SER 41 HA SER 41 -2.921 -13.189 -2.493 317 HB2 SER 41 HB3 SER 41 -1.902 -13.851 -0.430 318 HB3 SER 41 HB2 SER 41 -0.648 -13.019 -1.344 319 HG SER 41 HG SER 41 -0.567 -11.610 0.201 320 H GLY 42 H GLY 42 -3.723 -10.079 -1.759 321 HA2 GLY 42 HA2 GLY 42 -5.848 -9.321 -0.994 322 HA3 GLY 42 HA3 GLY 42 -6.183 -10.945 -0.392 323 H LYS 43 H LYS 43 -3.103 -9.803 0.506 324 HA LYS 43 HA LYS 43 -3.900 -9.708 3.313 325 HB2 LYS 43 HB3 LYS 43 -1.728 -10.650 2.707 326 HB3 LYS 43 HB2 LYS 43 -1.250 -9.126 1.955 327 HG2 LYS 43 HG3 LYS 43 -1.469 -7.988 4.143 328 HG3 LYS 43 HG2 LYS 43 -1.903 -9.527 4.890 329 HD2 LYS 43 HD3 LYS 43 0.260 -10.474 4.324 330 HD3 LYS 43 HD2 LYS 43 0.696 -9.026 3.415 331 HE2 LYS 43 HE3 LYS 43 0.574 -7.682 5.474 332 HE3 LYS 43 HE2 LYS 43 0.115 -9.118 6.390 333 HZ1 LYS 43 HZ1 LYS 43 2.256 -9.555 6.640 334 HZ2 LYS 43 HZ2 LYS 43 2.692 -8.241 5.654 335 HZ3 LYS 43 HZ3 LYS 43 2.403 -9.766 4.964 336 H LYS 44 H LYS 44 -4.791 -7.907 4.188 337 HA LYS 44 HA LYS 44 -4.271 -5.272 2.938 338 HB2 LYS 44 HB3 LYS 44 -6.596 -5.885 3.539 339 HB3 LYS 44 HB2 LYS 44 -6.111 -6.033 5.228 340 HG2 LYS 44 HG3 LYS 44 -5.436 -3.664 5.252 341 HG3 LYS 44 HG2 LYS 44 -5.906 -3.510 3.558 342 HD2 LYS 44 HD3 LYS 44 -8.230 -4.130 4.161 343 HD3 LYS 44 HD2 LYS 44 -7.752 -4.225 5.857 344 HE2 LYS 44 HE3 LYS 44 -7.368 -1.731 4.186 345 HE3 LYS 44 HE2 LYS 44 -8.821 -2.024 5.143 346 HZ1 LYS 44 HZ1 LYS 44 -7.345 -0.772 6.476 347 HZ2 LYS 44 HZ2 LYS 44 -6.030 -1.784 6.116 348 HZ3 LYS 44 HZ3 LYS 44 -7.306 -2.355 7.082 349 H PHE 45 H PHE 45 -2.820 -3.858 3.797 350 HA PHE 45 HA PHE 45 -2.091 -4.126 6.668 351 HB2 PHE 45 HB3 PHE 45 0.344 -3.689 5.867 352 HB3 PHE 45 HB2 PHE 45 -0.298 -5.325 5.719 353 HD1 PHE 45 HD1 PHE 45 -1.521 -5.881 3.461 354 HD2 PHE 45 HD2 PHE 45 1.244 -2.634 3.982 355 HE1 PHE 45 HE1 PHE 45 -1.146 -5.808 1.011 356 HE2 PHE 45 HE2 PHE 45 1.618 -2.562 1.531 357 HZ PHE 45 HZ PHE 45 0.424 -4.149 0.045 358 H ARG 46 H ARG 46 -1.463 -2.147 7.619 359 HA ARG 46 HA ARG 46 -1.322 0.232 5.840 360 HB2 ARG 46 HB3 ARG 46 -2.807 1.422 7.583 361 HB3 ARG 46 HB2 ARG 46 -3.610 0.325 6.458 362 HG2 ARG 46 HG3 ARG 46 -2.586 -0.870 8.983 363 HG3 ARG 46 HG2 ARG 46 -3.990 0.188 9.119 364 HD2 ARG 46 HD3 ARG 46 -5.319 -1.180 7.764 365 HD3 ARG 46 HD2 ARG 46 -3.925 -1.941 6.997 366 HE ARG 46 HE ARG 46 -3.809 -2.631 9.727 367 HH11 ARG 46 HH21 ARG 46 -5.893 -2.990 7.004 368 HH12 ARG 46 HH22 ARG 46 -6.541 -4.507 7.531 369 HH21 ARG 46 HH11 ARG 46 -4.642 -4.611 10.431 370 HH22 ARG 46 HH12 ARG 46 -5.832 -5.424 9.471 371 H SER 47 H SER 47 0.959 -0.616 6.791 372 HA SER 47 HA SER 47 1.677 1.372 8.824 373 HB2 SER 47 HB3 SER 47 0.900 -0.937 9.909 374 HB3 SER 47 HB2 SER 47 2.543 -1.413 9.485 375 HG SER 47 HG SER 47 2.032 -0.285 11.619 376 H LYS 48 H LYS 48 3.895 1.875 8.725 377 HA LYS 48 HA LYS 48 5.251 1.160 6.284 378 HB2 LYS 48 HB3 LYS 48 5.563 3.091 8.338 379 HB3 LYS 48 HB2 LYS 48 7.077 2.189 8.260 380 HG2 LYS 48 HG3 LYS 48 6.908 2.503 5.699 381 HG3 LYS 48 HG2 LYS 48 5.708 3.742 6.065 382 HD2 LYS 48 HD3 LYS 48 7.315 4.959 7.435 383 HD3 LYS 48 HD2 LYS 48 8.516 3.685 7.208 384 HE2 LYS 48 HE3 LYS 48 8.897 4.253 4.983 385 HE3 LYS 48 HE2 LYS 48 7.308 4.995 4.794 386 HZ1 LYS 48 HZ1 LYS 48 9.774 6.133 5.789 387 HZ2 LYS 48 HZ2 LYS 48 8.394 6.528 6.697 388 HZ3 LYS 48 HZ3 LYS 48 8.454 6.889 5.038 389 HA PRO 49 HA PRO 49 8.047 -1.321 9.510 390 HB2 PRO 49 HB3 PRO 49 5.817 -2.110 11.323 391 HB3 PRO 49 HB2 PRO 49 7.493 -1.685 11.714 392 HG2 PRO 49 HG3 PRO 49 5.508 -0.003 12.216 393 HG3 PRO 49 HG2 PRO 49 7.080 0.576 11.643 394 HD2 PRO 49 HD3 PRO 49 4.508 0.295 10.108 395 HD3 PRO 49 HD2 PRO 49 5.769 1.538 9.964 396 H GLN 50 H GLN 50 4.626 -2.344 9.214 397 HA GLN 50 HA GLN 50 5.245 -5.122 8.798 398 HB2 GLN 50 HB3 GLN 50 2.958 -3.831 9.332 399 HB3 GLN 50 HB2 GLN 50 2.786 -3.950 7.581 400 HG2 GLN 50 HG2 GLN 50 3.407 -6.300 9.391 401 HG3 GLN 50 HG3 GLN 50 1.792 -5.900 8.804 402 HE21 GLN 50 HE21 GLN 50 2.411 -5.130 6.135 403 HE22 GLN 50 HE22 GLN 50 3.009 -6.482 5.301 404 H LEU 51 H LEU 51 4.718 -2.394 6.584 405 HA LEU 51 HA LEU 51 4.780 -3.938 4.168 406 HB2 LEU 51 HB2 LEU 51 3.955 -1.622 4.216 407 HB3 LEU 51 HB3 LEU 51 5.565 -1.044 4.643 408 HG LEU 51 HG LEU 51 6.460 -1.908 2.526 409 HD11 LEU 51 HD11 LEU 51 4.487 -2.555 0.854 410 HD12 LEU 51 HD12 LEU 51 3.699 -3.045 2.353 411 HD13 LEU 51 HD13 LEU 51 5.240 -3.768 1.889 412 HD21 LEU 51 HD21 LEU 51 5.540 -0.239 1.119 413 HD22 LEU 51 HD22 LEU 51 5.269 0.382 2.748 414 HD23 LEU 51 HD23 LEU 51 3.945 -0.373 1.859 415 H ALA 52 H ALA 52 7.344 -2.201 5.948 416 HA ALA 52 HA ALA 52 9.426 -2.923 4.080 417 HB1 ALA 52 HB1 ALA 52 10.950 -2.263 5.997 418 HB2 ALA 52 HB2 ALA 52 9.500 -1.991 6.962 419 HB3 ALA 52 HB3 ALA 52 9.791 -1.024 5.517 420 H ARG 53 H ARG 53 8.389 -4.262 7.223 421 HA ARG 53 HA ARG 53 10.375 -6.293 7.397 422 HB2 ARG 53 HB3 ARG 53 8.860 -5.656 9.266 423 HB3 ARG 53 HB2 ARG 53 7.516 -6.403 8.402 424 HG2 ARG 53 HG3 ARG 53 8.681 -8.574 8.443 425 HG3 ARG 53 HG2 ARG 53 10.036 -7.833 9.296 426 HD2 ARG 53 HD3 ARG 53 8.449 -7.181 11.129 427 HD3 ARG 53 HD2 ARG 53 7.187 -8.093 10.301 428 HE ARG 53 HE ARG 53 9.501 -9.244 11.725 429 HH11 ARG 53 HH21 ARG 53 6.829 -9.605 9.576 430 HH12 ARG 53 HH22 ARG 53 6.720 -11.321 9.788 431 HH21 ARG 53 HH11 ARG 53 9.373 -11.483 12.013 432 HH22 ARG 53 HH12 ARG 53 8.159 -12.383 11.168 433 H TYR 54 H TYR 54 7.140 -6.325 5.901 434 HA TYR 54 HA TYR 54 7.160 -9.082 5.156 435 HB2 TYR 54 HB3 TYR 54 5.188 -7.438 5.105 436 HB3 TYR 54 HB2 TYR 54 5.832 -6.887 3.558 437 HD1 TYR 54 HD1 TYR 54 4.648 -9.915 5.388 438 HD2 TYR 54 HD2 TYR 54 5.467 -8.124 1.570 439 HE1 TYR 54 HE1 TYR 54 3.581 -11.845 4.253 440 HE2 TYR 54 HE2 TYR 54 4.400 -10.054 0.437 441 HH TYR 54 HH TYR 54 2.377 -12.031 1.689 442 H LEU 55 H LEU 55 7.900 -6.196 3.158 443 HA LEU 55 HA LEU 55 9.189 -7.947 1.158 444 HB2 LEU 55 HB2 LEU 55 8.758 -4.944 1.218 445 HB3 LEU 55 HB3 LEU 55 9.446 -5.840 -0.138 446 HG LEU 55 HG LEU 55 6.699 -6.355 1.036 447 HD11 LEU 55 HD11 LEU 55 7.614 -4.765 -1.371 448 HD12 LEU 55 HD12 LEU 55 6.612 -4.213 -0.029 449 HD13 LEU 55 HD13 LEU 55 5.964 -5.364 -1.197 450 HD21 LEU 55 HD21 LEU 55 7.257 -8.348 -0.010 451 HD22 LEU 55 HD22 LEU 55 8.359 -7.565 -1.143 452 HD23 LEU 55 HD23 LEU 55 6.617 -7.457 -1.391 453 H GLY 56 H GLY 56 10.155 -6.777 4.029 454 HA2 GLY 56 HA2 GLY 56 12.517 -5.332 3.694 455 HA3 GLY 56 HA3 GLY 56 12.306 -6.547 4.956 456 H GLY 57 H GLY 57 12.750 -8.835 4.308 457 HA2 GLY 57 HA2 GLY 57 15.295 -9.069 3.034 458 HA3 GLY 57 HA3 GLY 57 14.230 -10.424 3.417 459 H SER 58 H SER 58 12.579 -8.169 1.552 460 HA SER 58 HA SER 58 13.061 -9.823 -0.890 461 HB2 SER 58 HB3 SER 58 10.830 -9.569 -1.447 462 HB3 SER 58 HB2 SER 58 10.702 -9.486 0.308 463 HG SER 58 HG SER 58 10.650 -7.263 0.172 464 H MET 59 H MET 59 13.097 -6.581 0.417 465 HA MET 59 HA MET 59 14.732 -5.578 -1.708 466 HB2 MET 59 HB3 MET 59 13.253 -4.309 -3.013 467 HB3 MET 59 HB2 MET 59 12.342 -5.795 -2.752 468 HG2 MET 59 HG3 MET 59 11.306 -4.661 -0.721 469 HG3 MET 59 HG2 MET 59 12.032 -3.160 -1.299 470 HE1 MET 59 HE1 MET 59 11.714 -3.386 -4.595 471 HE2 MET 59 HE2 MET 59 11.771 -2.135 -3.357 472 HE3 MET 59 HE3 MET 59 10.392 -2.220 -4.449 473 H ASP 60 H ASP 60 14.909 -3.094 -1.509 474 HA ASP 60 HA ASP 60 14.762 -2.424 1.383 475 HB2 ASP 60 HB2 ASP 60 16.288 -0.553 0.765 476 HB3 ASP 60 HB3 ASP 60 16.942 -2.126 0.307 477 H LEU 61 H LEU 61 13.000 -1.284 2.015 478 HA LEU 61 HA LEU 61 11.725 0.542 0.020 479 HB2 LEU 61 HB2 LEU 61 10.531 -0.806 2.463 480 HB3 LEU 61 HB3 LEU 61 9.665 0.287 1.381 481 HG LEU 61 HG LEU 61 10.945 -2.343 0.576 482 HD11 LEU 61 HD11 LEU 61 8.941 -2.758 1.853 483 HD12 LEU 61 HD12 LEU 61 8.532 -2.967 0.149 484 HD13 LEU 61 HD13 LEU 61 8.068 -1.490 0.992 485 HD21 LEU 61 HD21 LEU 61 9.684 -0.081 -0.926 486 HD22 LEU 61 HD22 LEU 61 9.389 -1.723 -1.496 487 HD23 LEU 61 HD23 LEU 61 11.039 -1.110 -1.385 488 H SER 62 H SER 62 13.973 0.891 2.166 489 HA SER 62 HA SER 62 13.022 2.617 4.211 490 HB2 SER 62 HB3 SER 62 15.319 1.692 4.161 491 HB3 SER 62 HB2 SER 62 15.692 2.707 2.771 492 HG SER 62 HG SER 62 14.998 3.513 5.402 493 H THR 63 H THR 63 13.994 3.301 0.863 494 HA THR 63 HA THR 63 13.380 6.170 1.244 495 HB THR 63 HB THR 63 14.143 6.369 -1.125 496 HG1 THR 63 HG1 THR 63 13.780 4.509 -2.098 497 HG21 THR 63 HG21 THR 63 16.487 5.874 -0.678 498 HG22 THR 63 HG22 THR 63 16.036 4.771 0.621 499 HG23 THR 63 HG23 THR 63 15.737 6.501 0.790 500 H PHE 64 H PHE 64 11.314 3.937 1.287 501 HA PHE 64 HA PHE 64 9.700 4.684 -1.099 502 HB2 PHE 64 HB3 PHE 64 9.808 2.306 -0.738 503 HB3 PHE 64 HB2 PHE 64 9.410 2.488 0.969 504 HD1 PHE 64 HD2 PHE 64 8.033 3.435 -2.394 505 HD2 PHE 64 HD1 PHE 64 7.201 2.142 1.616 506 HE1 PHE 64 HE2 PHE 64 5.617 3.296 -2.940 507 HE2 PHE 64 HE1 PHE 64 4.785 2.002 1.072 508 HZ PHE 64 HZ PHE 64 3.994 2.578 -1.207 509 H ASP 65 H ASP 65 8.106 6.175 -0.872 510 HA ASP 65 HA ASP 65 7.466 7.208 1.802 511 HB2 ASP 65 HB2 ASP 65 7.734 8.672 -0.245 512 HB3 ASP 65 HB3 ASP 65 6.227 7.984 -0.852 513 H PHE 66 H PHE 66 5.886 6.299 3.015 514 HA PHE 66 HA PHE 66 3.962 4.453 1.789 515 HB2 PHE 66 HB3 PHE 66 4.932 3.908 3.976 516 HB3 PHE 66 HB2 PHE 66 4.281 5.402 4.654 517 HD1 PHE 66 HD1 PHE 66 3.436 2.056 3.335 518 HD2 PHE 66 HD2 PHE 66 1.914 5.643 5.142 519 HE1 PHE 66 HE1 PHE 66 1.288 0.908 3.803 520 HE2 PHE 66 HE2 PHE 66 -0.234 4.495 5.611 521 HZ PHE 66 HZ PHE 66 -0.547 2.128 4.941 522 H ARG 67 H ARG 67 3.973 7.714 3.131 523 HA ARG 67 HA ARG 67 1.123 8.026 3.298 524 HB2 ARG 67 HB3 ARG 67 2.744 9.546 4.415 525 HB3 ARG 67 HB2 ARG 67 3.236 10.153 2.835 526 HG2 ARG 67 HG3 ARG 67 0.918 10.897 2.401 527 HG3 ARG 67 HG2 ARG 67 0.437 10.309 3.993 528 HD2 ARG 67 HD3 ARG 67 2.609 12.377 3.560 529 HD3 ARG 67 HD2 ARG 67 0.929 12.784 3.910 530 HE ARG 67 HE ARG 67 1.518 11.101 5.971 531 HH11 ARG 67 HH21 ARG 67 3.171 13.758 4.526 532 HH12 ARG 67 HH22 ARG 67 3.960 14.239 5.992 533 HH21 ARG 67 HH11 ARG 67 2.537 11.711 7.894 534 HH22 ARG 67 HH12 ARG 67 3.600 13.080 7.900 535 H THR 68 H THR 68 3.479 8.794 0.733 536 HA THR 68 HA THR 68 1.232 9.503 -1.075 537 HB THR 68 HB THR 68 3.183 10.057 -2.655 538 HG1 THR 68 HG1 THR 68 4.551 8.763 -0.996 539 HG21 THR 68 HG21 THR 68 2.647 11.448 -0.037 540 HG22 THR 68 HG22 THR 68 2.105 11.897 -1.654 541 HG23 THR 68 HG23 THR 68 3.795 12.114 -1.199 542 H GLY 69 H GLY 69 3.291 6.872 -0.311 543 HA2 GLY 69 HA2 GLY 69 3.444 4.725 -1.250 544 HA3 GLY 69 HA3 GLY 69 1.991 5.121 -2.170 545 H LYS 70 H LYS 70 5.418 6.180 -2.139 546 HA LYS 70 HA LYS 70 5.657 5.419 -4.974 547 HB2 LYS 70 HB3 LYS 70 6.526 7.741 -5.544 548 HB3 LYS 70 HB2 LYS 70 4.787 7.640 -5.267 549 HG2 LYS 70 HG3 LYS 70 5.135 8.377 -2.922 550 HG3 LYS 70 HG2 LYS 70 6.862 8.538 -3.247 551 HD2 LYS 70 HD3 LYS 70 4.672 10.029 -4.723 552 HD3 LYS 70 HD2 LYS 70 5.679 10.713 -3.446 553 HE2 LYS 70 HE3 LYS 70 6.988 11.360 -5.204 554 HE3 LYS 70 HE2 LYS 70 7.601 9.711 -5.077 555 HZ1 LYS 70 HZ1 LYS 70 6.793 10.531 -7.344 556 HZ2 LYS 70 HZ2 LYS 70 5.227 10.327 -6.718 557 HZ3 LYS 70 HZ3 LYS 70 6.282 9.000 -6.827 558 H MET 71 H MET 71 7.865 5.230 -5.621 559 HA MET 71 HA MET 71 9.734 5.027 -3.336 560 HB2 MET 71 HB3 MET 71 9.545 3.151 -4.964 561 HB3 MET 71 HB2 MET 71 10.113 4.231 -6.239 562 HG2 MET 71 HG3 MET 71 12.228 4.569 -5.057 563 HG3 MET 71 HG2 MET 71 11.660 3.577 -3.715 564 HE1 MET 71 HE1 MET 71 10.785 1.135 -4.037 565 HE2 MET 71 HE2 MET 71 12.437 1.298 -3.447 566 HE3 MET 71 HE3 MET 71 12.056 0.064 -4.646 567 H LEU 72 H LEU 72 11.094 6.690 -2.899 568 HA LEU 72 HA LEU 72 11.302 9.012 -4.567 569 HB2 LEU 72 HB2 LEU 72 11.799 8.692 -2.008 570 HB3 LEU 72 HB3 LEU 72 13.422 8.284 -2.564 571 HG LEU 72 HG LEU 72 11.944 10.824 -3.312 572 HD11 LEU 72 HD11 LEU 72 12.696 10.480 -0.846 573 HD12 LEU 72 HD12 LEU 72 13.189 11.961 -1.666 574 HD13 LEU 72 HD13 LEU 72 14.334 10.633 -1.482 575 HD21 LEU 72 HD21 LEU 72 13.511 10.453 -5.012 576 HD22 LEU 72 HD22 LEU 72 14.649 9.660 -3.924 577 HD23 LEU 72 HD23 LEU 72 14.446 11.410 -3.864 Start of MODEL 14 1 H1 GLY 1 H1 GLY 1 -19.664 12.470 -1.996 2 H2 GLY 1 H2 GLY 1 -19.184 11.228 -3.051 3 H3 GLY 1 H3 GLY 1 -20.821 11.399 -2.628 4 HA2 GLY 1 HA2 GLY 1 -21.285 12.800 -4.290 5 HA3 GLY 1 HA3 GLY 1 -19.836 13.745 -3.826 6 H SER 2 H SER 2 -17.955 11.593 -4.158 7 HA SER 2 HA SER 2 -17.437 12.389 -6.960 8 HB2 SER 2 HB3 SER 2 -15.312 13.389 -6.510 9 HB3 SER 2 HB2 SER 2 -16.441 14.139 -5.386 10 HG SER 2 HG SER 2 -14.231 12.807 -4.834 11 H MET 3 H MET 3 -14.692 11.527 -6.898 12 HA MET 3 HA MET 3 -15.104 8.661 -7.065 13 HB2 MET 3 HB3 MET 3 -12.588 10.349 -7.215 14 HB3 MET 3 HB2 MET 3 -12.640 8.617 -7.540 15 HG2 MET 3 HG3 MET 3 -14.255 8.988 -9.355 16 HG3 MET 3 HG2 MET 3 -14.252 10.719 -9.017 17 HE1 MET 3 HE1 MET 3 -12.427 12.011 -8.745 18 HE2 MET 3 HE2 MET 3 -12.053 12.383 -10.426 19 HE3 MET 3 HE3 MET 3 -10.779 11.808 -9.353 20 H GLU 4 H GLU 4 -15.496 7.692 -5.089 21 HA GLU 4 HA GLU 4 -13.720 8.358 -2.805 22 HB2 GLU 4 HB3 GLU 4 -16.246 6.695 -3.013 23 HB3 GLU 4 HB2 GLU 4 -15.308 6.870 -1.529 24 HG2 GLU 4 HG2 GLU 4 -15.621 9.312 -1.609 25 HG3 GLU 4 HG3 GLU 4 -16.542 9.150 -3.104 26 H ARG 5 H ARG 5 -12.870 6.452 -1.528 27 HA ARG 5 HA ARG 5 -11.220 4.731 -1.707 28 HB2 ARG 5 HB3 ARG 5 -12.583 2.578 -2.469 29 HB3 ARG 5 HB2 ARG 5 -12.910 3.353 -0.919 30 HG2 ARG 5 HG3 ARG 5 -14.741 4.646 -1.939 31 HG3 ARG 5 HG2 ARG 5 -14.412 3.889 -3.498 32 HD2 ARG 5 HD3 ARG 5 -16.255 2.708 -2.450 33 HD3 ARG 5 HD2 ARG 5 -14.840 1.656 -2.438 34 HE ARG 5 HE ARG 5 -14.931 3.157 0.002 35 HH11 ARG 5 HH21 ARG 5 -16.483 0.622 -1.745 36 HH12 ARG 5 HH22 ARG 5 -17.024 -0.206 -0.323 37 HH21 ARG 5 HH11 ARG 5 -15.629 2.090 1.869 38 HH22 ARG 5 HH12 ARG 5 -16.540 0.624 1.723 39 H LYS 6 H LYS 6 -9.783 5.291 -3.379 40 HA LYS 6 HA LYS 6 -10.466 4.162 -6.066 41 HB2 LYS 6 HB3 LYS 6 -8.533 5.950 -6.663 42 HB3 LYS 6 HB2 LYS 6 -10.246 6.372 -6.648 43 HG2 LYS 6 HG3 LYS 6 -8.740 6.530 -4.069 44 HG3 LYS 6 HG2 LYS 6 -8.466 7.795 -5.267 45 HD2 LYS 6 HD3 LYS 6 -10.972 8.082 -5.409 46 HD3 LYS 6 HD2 LYS 6 -11.110 6.987 -4.032 47 HE2 LYS 6 HE3 LYS 6 -9.507 9.561 -4.037 48 HE3 LYS 6 HE2 LYS 6 -11.115 9.380 -3.338 49 HZ1 LYS 6 HZ1 LYS 6 -10.323 8.249 -1.587 50 HZ2 LYS 6 HZ2 LYS 6 -8.852 9.001 -1.981 51 HZ3 LYS 6 HZ3 LYS 6 -9.163 7.413 -2.496 52 H ARG 7 H ARG 7 -9.177 2.479 -6.625 53 HA ARG 7 HA ARG 7 -6.644 2.093 -5.105 54 HB2 ARG 7 HB3 ARG 7 -8.237 0.178 -6.840 55 HB3 ARG 7 HB2 ARG 7 -6.761 -0.236 -5.967 56 HG2 ARG 7 HG3 ARG 7 -7.843 0.310 -3.833 57 HG3 ARG 7 HG2 ARG 7 -9.314 0.781 -4.684 58 HD2 ARG 7 HD3 ARG 7 -9.616 -1.482 -3.882 59 HD3 ARG 7 HD2 ARG 7 -9.424 -1.549 -5.633 60 HE ARG 7 HE ARG 7 -6.866 -1.854 -4.365 61 HH11 ARG 7 HH21 ARG 7 -9.878 -3.421 -4.959 62 HH12 ARG 7 HH22 ARG 7 -9.209 -5.018 -4.914 63 HH21 ARG 7 HH11 ARG 7 -5.974 -3.931 -4.303 64 HH22 ARG 7 HH12 ARG 7 -6.999 -5.306 -4.541 65 H TRP 8 H TRP 8 -4.966 3.072 -6.161 66 HA TRP 8 HA TRP 8 -4.857 2.851 -9.134 67 HB2 TRP 8 HB3 TRP 8 -3.260 4.612 -7.247 68 HB3 TRP 8 HB2 TRP 8 -3.168 4.644 -9.008 69 HD1 TRP 8 HD1 TRP 8 -6.241 4.414 -9.673 70 HE1 TRP 8 HE1 TRP 8 -7.805 6.410 -9.203 71 HE3 TRP 8 HE3 TRP 8 -3.462 6.914 -6.192 72 HZ2 TRP 8 HZ2 TRP 8 -7.869 8.755 -7.566 73 HZ3 TRP 8 HZ3 TRP 8 -4.297 9.023 -5.194 74 HH2 TRP 8 HH2 TRP 8 -6.496 9.946 -5.876 75 H GLU 9 H GLU 9 -2.524 2.560 -9.975 76 HA GLU 9 HA GLU 9 -1.390 0.208 -8.597 77 HB2 GLU 9 HB3 GLU 9 -1.743 0.201 -11.068 78 HB3 GLU 9 HB2 GLU 9 -0.567 1.507 -11.211 79 HG2 GLU 9 HG2 GLU 9 1.157 0.068 -10.179 80 HG3 GLU 9 HG3 GLU 9 -0.018 -1.241 -10.050 81 H CYS 10 H CYS 10 0.743 0.132 -7.790 82 HA CYS 10 HA CYS 10 2.115 2.785 -7.590 83 HB2 CYS 10 HB3 CYS 10 1.079 1.878 -5.443 84 HB3 CYS 10 HB2 CYS 10 2.260 0.572 -5.530 85 HG CYS 10 HG CYS 10 3.328 2.500 -4.118 86 HA PRO 11 HA PRO 11 5.011 0.267 -10.046 87 HB2 PRO 11 HB3 PRO 11 6.457 2.871 -9.840 88 HB3 PRO 11 HB2 PRO 11 6.127 1.872 -11.269 89 HG2 PRO 11 HG3 PRO 11 4.779 4.112 -10.821 90 HG3 PRO 11 HG2 PRO 11 3.991 2.685 -11.513 91 HD2 PRO 11 HD3 PRO 11 3.779 3.773 -8.722 92 HD3 PRO 11 HD2 PRO 11 2.564 2.931 -9.709 93 H ALA 12 H ALA 12 5.902 2.417 -7.341 94 HA ALA 12 HA ALA 12 8.478 1.371 -6.818 95 HB1 ALA 12 HB1 ALA 12 6.373 2.594 -5.031 96 HB2 ALA 12 HB2 ALA 12 7.868 3.322 -5.620 97 HB3 ALA 12 HB3 ALA 12 7.927 2.060 -4.390 98 H LEU 13 H LEU 13 5.300 0.070 -6.105 99 HA LEU 13 HA LEU 13 6.451 -2.048 -4.389 100 HB2 LEU 13 HB2 LEU 13 3.581 -1.774 -5.313 101 HB3 LEU 13 HB3 LEU 13 4.185 -2.680 -3.926 102 HG LEU 13 HG LEU 13 4.110 0.327 -4.274 103 HD11 LEU 13 HD11 LEU 13 2.869 0.129 -2.086 104 HD12 LEU 13 HD12 LEU 13 2.898 -1.623 -2.292 105 HD13 LEU 13 HD13 LEU 13 2.036 -0.611 -3.453 106 HD21 LEU 13 HD21 LEU 13 6.216 -0.013 -3.267 107 HD22 LEU 13 HD22 LEU 13 5.656 -1.416 -2.357 108 HD23 LEU 13 HD23 LEU 13 5.140 0.203 -1.887 109 HA PRO 14 HA PRO 14 7.040 -5.123 -7.486 110 HB2 PRO 14 HB3 PRO 14 5.396 -6.915 -5.758 111 HB3 PRO 14 HB2 PRO 14 7.033 -7.156 -6.401 112 HG2 PRO 14 HG3 PRO 14 6.601 -6.531 -3.841 113 HG3 PRO 14 HG2 PRO 14 8.016 -5.940 -4.728 114 HD2 PRO 14 HD3 PRO 14 5.582 -4.441 -3.874 115 HD3 PRO 14 HD2 PRO 14 7.248 -3.881 -4.133 116 H GLN 15 H GLN 15 5.880 -6.263 -9.159 117 HA GLN 15 HA GLN 15 3.410 -5.122 -9.965 118 HB2 GLN 15 HB3 GLN 15 4.700 -7.757 -10.737 119 HB3 GLN 15 HB2 GLN 15 3.298 -7.069 -11.557 120 HG2 GLN 15 HG2 GLN 15 4.583 -5.062 -12.132 121 HG3 GLN 15 HG3 GLN 15 5.982 -5.691 -11.259 122 HE21 GLN 15 HE21 GLN 15 4.812 -5.380 -14.346 123 HE22 GLN 15 HE22 GLN 15 5.563 -6.718 -15.073 124 H GLY 16 H GLY 16 1.421 -5.418 -9.099 125 HA2 GLY 16 HA2 GLY 16 -0.323 -7.233 -8.698 126 HA3 GLY 16 HA3 GLY 16 0.891 -7.993 -7.669 127 H TRP 17 H TRP 17 1.873 -5.543 -6.489 128 HA TRP 17 HA TRP 17 -0.132 -5.201 -4.413 129 HB2 TRP 17 HB3 TRP 17 2.443 -3.679 -4.926 130 HB3 TRP 17 HB2 TRP 17 1.488 -3.603 -3.446 131 HD1 TRP 17 HD1 TRP 17 3.191 -6.329 -5.609 132 HE1 TRP 17 HE1 TRP 17 4.142 -8.126 -4.022 133 HE3 TRP 17 HE3 TRP 17 1.624 -4.463 -1.120 134 HZ2 TRP 17 HZ2 TRP 17 4.226 -8.696 -1.221 135 HZ3 TRP 17 HZ3 TRP 17 2.153 -5.652 0.988 136 HH2 TRP 17 HH2 TRP 17 3.451 -7.764 0.944 137 H GLU 18 H GLU 18 -1.306 -3.269 -3.946 138 HA GLU 18 HA GLU 18 -1.319 -1.194 -6.081 139 HB2 GLU 18 HB3 GLU 18 -3.748 -2.699 -5.059 140 HB3 GLU 18 HB2 GLU 18 -3.824 -1.253 -6.068 141 HG2 GLU 18 HG2 GLU 18 -2.533 -2.410 -7.827 142 HG3 GLU 18 HG3 GLU 18 -2.469 -3.858 -6.823 143 H ARG 19 H ARG 19 -2.166 0.851 -5.345 144 HA ARG 19 HA ARG 19 -2.210 1.087 -2.369 145 HB2 ARG 19 HB3 ARG 19 -0.485 2.415 -3.587 146 HB3 ARG 19 HB2 ARG 19 -1.777 3.249 -4.454 147 HG2 ARG 19 HG3 ARG 19 -2.695 4.064 -2.316 148 HG3 ARG 19 HG2 ARG 19 -1.413 3.226 -1.443 149 HD2 ARG 19 HD3 ARG 19 -0.773 5.554 -1.693 150 HD3 ARG 19 HD2 ARG 19 0.266 4.576 -2.728 151 HE ARG 19 HE ARG 19 -2.116 5.614 -4.080 152 HH11 ARG 19 HH21 ARG 19 1.165 6.097 -3.139 153 HH12 ARG 19 HH22 ARG 19 1.498 7.234 -4.403 154 HH21 ARG 19 HH11 ARG 19 -1.699 7.097 -5.734 155 HH22 ARG 19 HH12 ARG 19 -0.122 7.801 -5.872 156 H GLU 20 H GLU 20 -3.826 2.552 -1.437 157 HA GLU 20 HA GLU 20 -6.154 3.140 -3.187 158 HB2 GLU 20 HB3 GLU 20 -6.463 0.867 -2.129 159 HB3 GLU 20 HB2 GLU 20 -6.432 1.664 -0.555 160 HG2 GLU 20 HG2 GLU 20 -8.353 3.062 -1.220 161 HG3 GLU 20 HG3 GLU 20 -8.388 2.264 -2.793 162 H GLU 21 H GLU 21 -7.243 4.994 -2.554 163 HA GLU 21 HA GLU 21 -6.271 6.299 -0.042 164 HB2 GLU 21 HB3 GLU 21 -7.386 7.566 -2.567 165 HB3 GLU 21 HB2 GLU 21 -6.864 8.443 -1.127 166 HG2 GLU 21 HG2 GLU 21 -5.065 6.605 -2.727 167 HG3 GLU 21 HG3 GLU 21 -5.121 8.356 -2.937 168 H VAL 22 H VAL 22 -7.786 6.379 1.541 169 HA VAL 22 HA VAL 22 -10.661 6.488 0.723 170 HB VAL 22 HB VAL 22 -9.535 4.926 3.066 171 HG11 VAL 22 HG21 VAL 22 -11.885 5.864 3.236 172 HG12 VAL 22 HG22 VAL 22 -11.783 4.106 3.336 173 HG13 VAL 22 HG23 VAL 22 -12.305 4.875 1.837 174 HG21 VAL 22 HG13 VAL 22 -10.568 3.991 0.368 175 HG22 VAL 22 HG11 VAL 22 -10.156 2.931 1.717 176 HG23 VAL 22 HG12 VAL 22 -8.900 3.889 0.932 177 HA PRO 23 HA PRO 23 -10.574 9.973 3.504 178 HB2 PRO 23 HB3 PRO 23 -13.227 10.563 3.397 179 HB3 PRO 23 HB2 PRO 23 -12.112 10.920 2.063 180 HG2 PRO 23 HG3 PRO 23 -14.076 8.710 2.348 181 HG3 PRO 23 HG2 PRO 23 -13.608 9.629 0.909 182 HD2 PRO 23 HD3 PRO 23 -12.650 7.084 1.490 183 HD3 PRO 23 HD2 PRO 23 -11.818 8.257 0.446 184 H ARG 24 H ARG 24 -11.836 10.667 5.536 185 HA ARG 24 HA ARG 24 -12.491 8.225 7.119 186 HB2 ARG 24 HB3 ARG 24 -11.569 10.990 7.948 187 HB3 ARG 24 HB2 ARG 24 -12.095 9.757 9.096 188 HG2 ARG 24 HG3 ARG 24 -9.900 9.292 7.063 189 HG3 ARG 24 HG2 ARG 24 -9.590 9.847 8.709 190 HD2 ARG 24 HD3 ARG 24 -11.106 7.776 9.353 191 HD3 ARG 24 HD2 ARG 24 -10.611 7.192 7.765 192 HE ARG 24 HE ARG 24 -8.449 6.834 8.638 193 HH11 ARG 24 HH21 ARG 24 -10.315 8.956 10.613 194 HH12 ARG 24 HH22 ARG 24 -9.140 9.023 11.883 195 HH21 ARG 24 HH11 ARG 24 -6.903 6.910 10.286 196 HH22 ARG 24 HH12 ARG 24 -7.209 7.865 11.698 197 H ARG 25 H ARG 25 -14.583 7.929 7.722 198 HA ARG 25 HA ARG 25 -16.458 10.224 7.370 199 HB2 ARG 25 HB3 ARG 25 -16.927 7.229 7.397 200 HB3 ARG 25 HB2 ARG 25 -18.222 8.426 7.331 201 HG2 ARG 25 HG3 ARG 25 -17.342 9.321 5.238 202 HG3 ARG 25 HG2 ARG 25 -15.966 8.222 5.317 203 HD2 ARG 25 HD3 ARG 25 -17.629 7.289 3.804 204 HD3 ARG 25 HD2 ARG 25 -17.561 6.296 5.259 205 HE ARG 25 HE ARG 25 -19.578 8.363 5.482 206 HH11 ARG 25 HH21 ARG 25 -18.789 5.290 4.134 207 HH12 ARG 25 HH22 ARG 25 -20.433 4.751 4.062 208 HH21 ARG 25 HH11 ARG 25 -21.729 7.676 5.395 209 HH22 ARG 25 HH12 ARG 25 -22.098 6.102 4.776 210 H SER 26 H SER 26 -15.390 7.737 9.639 211 HA SER 26 HA SER 26 -16.641 7.341 11.769 212 HB2 SER 26 HB3 SER 26 -15.234 8.638 13.330 213 HB3 SER 26 HB2 SER 26 -14.262 7.948 12.033 214 HG SER 26 HG SER 26 -14.583 10.034 10.960 215 H GLY 27 H GLY 27 -16.127 10.481 12.861 216 HA2 GLY 27 HA2 GLY 27 -18.810 11.475 12.130 217 HA3 GLY 27 HA3 GLY 27 -18.550 11.134 13.841 218 H LEU 28 H LEU 28 -17.207 12.517 15.048 219 HA LEU 28 HA LEU 28 -16.946 15.214 14.070 220 HB2 LEU 28 HB2 LEU 28 -17.228 14.715 16.466 221 HB3 LEU 28 HB3 LEU 28 -15.672 13.887 16.482 222 HG LEU 28 HG LEU 28 -14.535 15.971 15.852 223 HD11 LEU 28 HD11 LEU 28 -16.008 17.220 14.554 224 HD12 LEU 28 HD12 LEU 28 -16.120 18.072 16.094 225 HD13 LEU 28 HD13 LEU 28 -17.372 16.920 15.630 226 HD21 LEU 28 HD21 LEU 28 -16.431 16.554 18.139 227 HD22 LEU 28 HD22 LEU 28 -14.764 17.102 17.951 228 HD23 LEU 28 HD23 LEU 28 -15.103 15.401 18.277 229 H SER 29 H SER 29 -14.563 12.623 14.680 230 HA SER 29 HA SER 29 -12.319 14.189 13.751 231 HB2 SER 29 HB3 SER 29 -12.057 12.220 15.237 232 HB3 SER 29 HB2 SER 29 -12.626 11.175 13.935 233 HG SER 29 HG SER 29 -10.174 12.248 14.360 234 H ALA 30 H ALA 30 -14.906 12.729 12.129 235 HA ALA 30 HA ALA 30 -13.805 11.686 9.773 236 HB1 ALA 30 HB1 ALA 30 -15.905 12.059 8.760 237 HB2 ALA 30 HB2 ALA 30 -16.199 13.521 9.703 238 HB3 ALA 30 HB3 ALA 30 -16.292 11.937 10.476 239 H GLY 31 H GLY 31 -13.148 12.629 7.787 240 HA2 GLY 31 HA2 GLY 31 -13.055 14.806 6.467 241 HA3 GLY 31 HA3 GLY 31 -12.498 15.544 7.971 242 H HIS 32 H HIS 32 -10.818 13.297 8.753 243 HA HIS 32 HA HIS 32 -8.437 13.972 7.233 244 HB2 HIS 32 HB2 HIS 32 -8.995 11.918 9.388 245 HB3 HIS 32 HB3 HIS 32 -7.404 12.139 8.660 246 HD1 HIS 32 HD1 HIS 32 -9.331 13.264 11.452 247 HD2 HIS 32 HD2 HIS 32 -6.647 15.114 8.849 248 HE1 HIS 32 HE1 HIS 32 -8.559 15.385 12.605 249 HE2 HIS 32 HE2 HIS 32 -6.925 16.518 11.028 250 H ARG 33 H ARG 33 -7.040 12.111 6.329 251 HA ARG 33 HA ARG 33 -8.781 10.108 4.950 252 HB2 ARG 33 HB3 ARG 33 -7.475 10.424 2.905 253 HB3 ARG 33 HB2 ARG 33 -8.166 11.967 3.411 254 HG2 ARG 33 HG3 ARG 33 -6.013 12.526 4.535 255 HG3 ARG 33 HG2 ARG 33 -5.329 11.022 3.917 256 HD2 ARG 33 HD3 ARG 33 -4.687 12.788 2.400 257 HD3 ARG 33 HD2 ARG 33 -5.907 11.808 1.590 258 HE ARG 33 HE ARG 33 -7.212 13.950 2.959 259 HH11 ARG 33 HH21 ARG 33 -5.102 13.267 0.319 260 HH12 ARG 33 HH22 ARG 33 -5.624 14.625 -0.622 261 HH21 ARG 33 HH11 ARG 33 -7.904 15.727 1.746 262 HH22 ARG 33 HH12 ARG 33 -7.210 16.018 0.187 263 H ASP 34 H ASP 34 -7.743 8.088 4.500 264 HA ASP 34 HA ASP 34 -5.065 7.736 5.783 265 HB2 ASP 34 HB2 ASP 34 -7.594 6.147 6.156 266 HB3 ASP 34 HB3 ASP 34 -6.024 5.367 6.351 267 H VAL 35 H VAL 35 -3.704 6.230 4.736 268 HA VAL 35 HA VAL 35 -4.624 5.463 2.005 269 HB VAL 35 HB VAL 35 -1.792 5.613 3.080 270 HG11 VAL 35 HG21 VAL 35 -1.200 5.572 0.680 271 HG12 VAL 35 HG22 VAL 35 -2.908 5.419 0.264 272 HG13 VAL 35 HG23 VAL 35 -2.094 4.123 1.139 273 HG21 VAL 35 HG13 VAL 35 -3.624 7.643 1.872 274 HG22 VAL 35 HG11 VAL 35 -1.933 7.667 1.368 275 HG23 VAL 35 HG12 VAL 35 -2.348 7.855 3.072 276 H PHE 36 H PHE 36 -4.812 3.319 1.501 277 HA PHE 36 HA PHE 36 -3.646 1.351 3.431 278 HB2 PHE 36 HB3 PHE 36 -6.298 1.298 1.970 279 HB3 PHE 36 HB2 PHE 36 -5.602 -0.126 2.745 280 HD1 PHE 36 HD1 PHE 36 -6.996 3.248 3.312 281 HD2 PHE 36 HD2 PHE 36 -5.481 -0.322 5.157 282 HE1 PHE 36 HE1 PHE 36 -7.876 4.007 5.503 283 HE2 PHE 36 HE2 PHE 36 -6.360 0.437 7.348 284 HZ PHE 36 HZ PHE 36 -7.557 2.601 7.521 285 H TYR 37 H TYR 37 -2.883 -0.635 2.479 286 HA TYR 37 HA TYR 37 -2.491 -0.475 -0.482 287 HB2 TYR 37 HB3 TYR 37 -0.546 -1.292 1.687 288 HB3 TYR 37 HB2 TYR 37 -0.294 -1.691 -0.013 289 HD1 TYR 37 HD2 TYR 37 -0.723 1.120 2.384 290 HD2 TYR 37 HD1 TYR 37 0.437 -0.046 -1.583 291 HE1 TYR 37 HE2 TYR 37 0.187 3.391 1.984 292 HE2 TYR 37 HE1 TYR 37 1.346 2.227 -1.985 293 HH TYR 37 HH TYR 37 0.983 4.802 0.429 294 H TYR 38 H TYR 38 -2.531 -2.497 -1.593 295 HA TYR 38 HA TYR 38 -3.682 -4.736 0.027 296 HB2 TYR 38 HB3 TYR 38 -4.212 -3.874 -2.826 297 HB3 TYR 38 HB2 TYR 38 -4.729 -5.434 -2.186 298 HD1 TYR 38 HD1 TYR 38 -4.971 -1.752 -1.600 299 HD2 TYR 38 HD2 TYR 38 -6.700 -5.621 -0.897 300 HE1 TYR 38 HE1 TYR 38 -6.962 -0.678 -0.583 301 HE2 TYR 38 HE2 TYR 38 -8.691 -4.546 0.119 302 HH TYR 38 HH TYR 38 -9.832 -2.474 0.175 303 H SER 39 H SER 39 -2.492 -6.585 0.044 304 HA SER 39 HA SER 39 -0.145 -6.763 -1.751 305 HB2 SER 39 HB3 SER 39 -0.611 -8.997 0.095 306 HB3 SER 39 HB2 SER 39 0.817 -7.983 -0.101 307 HG SER 39 HG SER 39 -1.143 -6.501 0.916 308 HA PRO 40 HA PRO 40 -1.405 -10.014 -4.430 309 HB2 PRO 40 HB3 PRO 40 0.052 -12.112 -2.889 310 HB3 PRO 40 HB2 PRO 40 0.184 -11.674 -4.603 311 HG2 PRO 40 HG3 PRO 40 2.077 -10.996 -2.887 312 HG3 PRO 40 HG2 PRO 40 1.580 -9.890 -4.178 313 HD2 PRO 40 HD3 PRO 40 0.890 -9.794 -1.253 314 HD3 PRO 40 HD2 PRO 40 1.206 -8.430 -2.349 315 H SER 41 H SER 41 -1.667 -10.912 -1.015 316 HA SER 41 HA SER 41 -3.861 -12.805 -1.629 317 HB2 SER 41 HB3 SER 41 -2.868 -13.806 0.148 318 HB3 SER 41 HB2 SER 41 -2.035 -12.328 0.619 319 HG SER 41 HG SER 41 -3.472 -12.237 2.144 320 H GLY 42 H GLY 42 -3.784 -9.628 -1.647 321 HA2 GLY 42 HA2 GLY 42 -5.511 -8.038 -1.427 322 HA3 GLY 42 HA3 GLY 42 -6.570 -9.338 -0.877 323 H LYS 43 H LYS 43 -3.606 -9.150 0.814 324 HA LYS 43 HA LYS 43 -4.898 -8.642 3.320 325 HB2 LYS 43 HB3 LYS 43 -2.637 -9.799 2.893 326 HB3 LYS 43 HB2 LYS 43 -1.963 -8.173 2.783 327 HG2 LYS 43 HG3 LYS 43 -3.551 -8.108 5.084 328 HG3 LYS 43 HG2 LYS 43 -2.752 -9.679 5.147 329 HD2 LYS 43 HD3 LYS 43 -1.370 -7.007 4.753 330 HD3 LYS 43 HD2 LYS 43 -1.368 -7.960 6.238 331 HE2 LYS 43 HE3 LYS 43 -0.484 -9.860 4.594 332 HE3 LYS 43 HE2 LYS 43 0.057 -8.465 3.660 333 HZ1 LYS 43 HZ1 LYS 43 1.368 -9.569 5.767 334 HZ2 LYS 43 HZ2 LYS 43 0.610 -8.216 6.459 335 HZ3 LYS 43 HZ3 LYS 43 1.648 -8.022 5.129 336 H LYS 44 H LYS 44 -5.478 -6.724 4.227 337 HA LYS 44 HA LYS 44 -4.641 -4.223 2.874 338 HB2 LYS 44 HB3 LYS 44 -6.694 -4.758 5.042 339 HB3 LYS 44 HB2 LYS 44 -6.368 -3.171 4.343 340 HG2 LYS 44 HG3 LYS 44 -7.011 -3.970 2.128 341 HG3 LYS 44 HG2 LYS 44 -7.239 -5.603 2.755 342 HD2 LYS 44 HD3 LYS 44 -9.422 -4.645 2.675 343 HD3 LYS 44 HD2 LYS 44 -8.944 -4.587 4.372 344 HE2 LYS 44 HE3 LYS 44 -8.328 -2.253 2.585 345 HE3 LYS 44 HE2 LYS 44 -9.954 -2.441 3.240 346 HZ1 LYS 44 HZ1 LYS 44 -7.990 -2.881 5.241 347 HZ2 LYS 44 HZ2 LYS 44 -9.269 -1.763 5.218 348 HZ3 LYS 44 HZ3 LYS 44 -7.773 -1.361 4.520 349 H PHE 45 H PHE 45 -2.873 -3.192 3.657 350 HA PHE 45 HA PHE 45 -2.450 -3.151 6.604 351 HB2 PHE 45 HB3 PHE 45 -0.050 -3.593 6.307 352 HB3 PHE 45 HB2 PHE 45 -1.000 -4.933 5.663 353 HD1 PHE 45 HD2 PHE 45 -1.192 -5.309 3.254 354 HD2 PHE 45 HD1 PHE 45 1.127 -2.049 4.820 355 HE1 PHE 45 HE2 PHE 45 -0.138 -4.991 1.033 356 HE2 PHE 45 HE1 PHE 45 2.181 -1.733 2.598 357 HZ PHE 45 HZ PHE 45 1.550 -3.204 0.705 358 H ARG 46 H ARG 46 -1.470 -1.226 7.340 359 HA ARG 46 HA ARG 46 -0.919 0.824 5.233 360 HB2 ARG 46 HB3 ARG 46 -1.809 2.502 6.919 361 HB3 ARG 46 HB2 ARG 46 -3.023 1.426 6.228 362 HG2 ARG 46 HG3 ARG 46 -2.811 -0.052 8.213 363 HG3 ARG 46 HG2 ARG 46 -1.660 1.084 8.914 364 HD2 ARG 46 HD3 ARG 46 -3.365 2.852 8.898 365 HD3 ARG 46 HD2 ARG 46 -4.520 1.747 8.151 366 HE ARG 46 HE ARG 46 -3.441 0.728 10.660 367 HH11 ARG 46 HH21 ARG 46 -5.770 2.749 9.117 368 HH12 ARG 46 HH22 ARG 46 -6.910 2.653 10.417 369 HH21 ARG 46 HH11 ARG 46 -4.917 0.592 12.367 370 HH22 ARG 46 HH12 ARG 46 -6.427 1.432 12.256 371 H SER 47 H SER 47 1.240 -0.500 5.976 372 HA SER 47 HA SER 47 2.690 1.439 7.667 373 HB2 SER 47 HB3 SER 47 1.747 -0.591 9.050 374 HB3 SER 47 HB2 SER 47 3.064 -1.479 8.288 375 HG SER 47 HG SER 47 3.135 0.291 10.318 376 H LYS 48 H LYS 48 4.673 1.802 6.776 377 HA LYS 48 HA LYS 48 5.468 0.517 4.345 378 HB2 LYS 48 HB3 LYS 48 6.272 2.739 4.784 379 HB3 LYS 48 HB2 LYS 48 6.991 2.239 6.315 380 HG2 LYS 48 HG3 LYS 48 7.909 0.697 3.971 381 HG3 LYS 48 HG2 LYS 48 8.367 2.401 3.954 382 HD2 LYS 48 HD3 LYS 48 9.583 2.227 5.953 383 HD3 LYS 48 HD2 LYS 48 8.740 0.757 6.448 384 HE2 LYS 48 HE3 LYS 48 9.876 -0.545 4.763 385 HE3 LYS 48 HE2 LYS 48 10.576 0.905 4.043 386 HZ1 LYS 48 HZ1 LYS 48 11.077 0.205 6.867 387 HZ2 LYS 48 HZ2 LYS 48 11.979 1.222 5.847 388 HZ3 LYS 48 HZ3 LYS 48 12.017 -0.462 5.622 389 HA PRO 49 HA PRO 49 8.682 -1.728 7.326 390 HB2 PRO 49 HB3 PRO 49 7.523 -2.190 9.806 391 HB3 PRO 49 HB2 PRO 49 8.687 -0.898 9.454 392 HG2 PRO 49 HG3 PRO 49 5.713 -0.777 9.600 393 HG3 PRO 49 HG2 PRO 49 6.920 0.369 10.205 394 HD2 PRO 49 HD3 PRO 49 5.600 0.882 7.891 395 HD3 PRO 49 HD2 PRO 49 7.324 1.281 8.057 396 H GLN 50 H GLN 50 5.177 -2.191 7.743 397 HA GLN 50 HA GLN 50 5.300 -5.053 8.031 398 HB2 GLN 50 HB3 GLN 50 3.318 -3.703 8.676 399 HB3 GLN 50 HB2 GLN 50 3.032 -3.336 6.974 400 HG2 GLN 50 HG2 GLN 50 2.728 -5.711 6.477 401 HG3 GLN 50 HG3 GLN 50 3.099 -6.130 8.152 402 HE21 GLN 50 HE21 GLN 50 0.574 -6.809 6.954 403 HE22 GLN 50 HE22 GLN 50 -0.638 -5.908 7.729 404 H LEU 51 H LEU 51 4.976 -2.897 5.231 405 HA LEU 51 HA LEU 51 4.453 -4.936 3.293 406 HB2 LEU 51 HB2 LEU 51 4.420 -2.286 3.131 407 HB3 LEU 51 HB3 LEU 51 6.076 -2.524 2.570 408 HG LEU 51 HG LEU 51 3.624 -3.871 1.401 409 HD11 LEU 51 HD11 LEU 51 5.368 -1.602 0.399 410 HD12 LEU 51 HD12 LEU 51 3.662 -1.505 0.835 411 HD13 LEU 51 HD13 LEU 51 4.159 -2.432 -0.579 412 HD21 LEU 51 HD21 LEU 51 5.484 -4.280 -0.437 413 HD22 LEU 51 HD22 LEU 51 5.356 -5.361 0.951 414 HD23 LEU 51 HD23 LEU 51 6.580 -4.090 0.933 415 H ALA 52 H ALA 52 7.495 -3.522 4.491 416 HA ALA 52 HA ALA 52 9.206 -4.977 2.702 417 HB1 ALA 52 HB1 ALA 52 10.154 -3.092 3.813 418 HB2 ALA 52 HB2 ALA 52 10.955 -4.498 4.512 419 HB3 ALA 52 HB3 ALA 52 9.663 -3.689 5.399 420 H ARG 53 H ARG 53 7.950 -5.685 5.950 421 HA ARG 53 HA ARG 53 9.460 -8.011 6.498 422 HB2 ARG 53 HB3 ARG 53 7.769 -6.792 8.009 423 HB3 ARG 53 HB2 ARG 53 6.532 -7.743 7.186 424 HG2 ARG 53 HG3 ARG 53 7.017 -9.163 8.951 425 HG3 ARG 53 HG2 ARG 53 8.177 -9.750 7.760 426 HD2 ARG 53 HD3 ARG 53 9.333 -9.420 9.875 427 HD3 ARG 53 HD2 ARG 53 9.885 -8.197 8.731 428 HE ARG 53 HE ARG 53 7.652 -7.368 10.460 429 HH11 ARG 53 HH21 ARG 53 11.046 -7.534 9.869 430 HH12 ARG 53 HH22 ARG 53 11.426 -6.200 10.908 431 HH21 ARG 53 HH11 ARG 53 8.130 -5.627 11.819 432 HH22 ARG 53 HH12 ARG 53 9.776 -5.121 12.011 433 H TYR 54 H TYR 54 6.364 -7.694 4.743 434 HA TYR 54 HA TYR 54 6.050 -10.479 4.180 435 HB2 TYR 54 HB3 TYR 54 4.328 -8.604 3.873 436 HB3 TYR 54 HB2 TYR 54 5.152 -8.241 2.356 437 HD1 TYR 54 HD1 TYR 54 5.214 -9.906 0.523 438 HD2 TYR 54 HD2 TYR 54 2.994 -10.601 4.135 439 HE1 TYR 54 HE1 TYR 54 3.980 -11.749 -0.589 440 HE2 TYR 54 HE2 TYR 54 1.761 -12.444 3.023 441 HH TYR 54 HH TYR 54 1.715 -12.893 -0.278 442 H LEU 55 H LEU 55 7.520 -7.859 2.239 443 HA LEU 55 HA LEU 55 8.321 -9.562 0.073 444 HB2 LEU 55 HB2 LEU 55 9.016 -6.818 1.021 445 HB3 LEU 55 HB3 LEU 55 10.137 -7.597 -0.097 446 HG LEU 55 HG LEU 55 8.370 -7.946 -1.720 447 HD11 LEU 55 HD11 LEU 55 6.112 -6.699 -1.002 448 HD12 LEU 55 HD12 LEU 55 6.663 -7.172 0.604 449 HD13 LEU 55 HD13 LEU 55 6.388 -8.401 -0.631 450 HD21 LEU 55 HD21 LEU 55 8.568 -5.179 -0.530 451 HD22 LEU 55 HD22 LEU 55 7.589 -5.483 -1.965 452 HD23 LEU 55 HD23 LEU 55 9.324 -5.799 -1.999 453 H GLY 56 H GLY 56 9.272 -9.686 3.230 454 HA2 GLY 56 HA2 GLY 56 11.106 -10.659 4.323 455 HA3 GLY 56 HA3 GLY 56 11.374 -11.533 2.814 456 H GLY 57 H GLY 57 11.731 -8.155 3.966 457 HA2 GLY 57 HA2 GLY 57 13.355 -6.570 3.240 458 HA3 GLY 57 HA3 GLY 57 14.421 -7.784 3.948 459 H SER 58 H SER 58 12.444 -8.160 1.027 460 HA SER 58 HA SER 58 14.876 -8.946 -0.449 461 HB2 SER 58 HB3 SER 58 13.332 -9.678 -2.190 462 HB3 SER 58 HB2 SER 58 12.763 -10.271 -0.633 463 HG SER 58 HG SER 58 11.756 -7.854 -0.984 464 H MET 59 H MET 59 13.386 -6.075 0.216 465 HA MET 59 HA MET 59 14.691 -4.768 -2.071 466 HB2 MET 59 HB3 MET 59 12.410 -5.368 -2.915 467 HB3 MET 59 HB2 MET 59 11.716 -4.406 -1.612 468 HG2 MET 59 HG3 MET 59 12.596 -2.385 -2.480 469 HG3 MET 59 HG2 MET 59 13.730 -3.234 -3.530 470 HE1 MET 59 HE1 MET 59 9.232 -2.737 -3.896 471 HE2 MET 59 HE2 MET 59 10.281 -1.340 -3.660 472 HE3 MET 59 HE3 MET 59 10.277 -2.642 -2.473 473 H ASP 60 H ASP 60 15.075 -2.535 -1.656 474 HA ASP 60 HA ASP 60 14.922 -1.827 1.196 475 HB2 ASP 60 HB2 ASP 60 16.964 -1.408 -0.244 476 HB3 ASP 60 HB3 ASP 60 16.030 -0.172 -1.086 477 H LEU 61 H LEU 61 12.840 -1.205 1.728 478 HA LEU 61 HA LEU 61 11.428 0.701 -0.057 479 HB2 LEU 61 HB2 LEU 61 10.552 -0.859 2.388 480 HB3 LEU 61 HB3 LEU 61 9.528 0.325 1.577 481 HG LEU 61 HG LEU 61 10.782 -2.058 0.188 482 HD11 LEU 61 HD11 LEU 61 9.161 -2.850 1.826 483 HD12 LEU 61 HD12 LEU 61 8.453 -2.973 0.215 484 HD13 LEU 61 HD13 LEU 61 7.984 -1.652 1.287 485 HD21 LEU 61 HD21 LEU 61 10.298 -0.561 -1.517 486 HD22 LEU 61 HD22 LEU 61 8.999 0.212 -0.609 487 HD23 LEU 61 HD23 LEU 61 8.733 -1.358 -1.366 488 H SER 62 H SER 62 13.649 0.911 2.355 489 HA SER 62 HA SER 62 12.636 2.784 4.206 490 HB2 SER 62 HB3 SER 62 15.407 2.499 3.021 491 HB3 SER 62 HB2 SER 62 15.033 3.586 4.355 492 HG SER 62 HG SER 62 14.360 1.801 5.555 493 H THR 63 H THR 63 13.542 3.190 0.852 494 HA THR 63 HA THR 63 13.355 6.140 1.078 495 HB THR 63 HB THR 63 14.129 6.190 -1.213 496 HG1 THR 63 HG1 THR 63 12.812 4.053 -1.497 497 HG21 THR 63 HG21 THR 63 15.648 3.901 0.023 498 HG22 THR 63 HG22 THR 63 15.714 5.519 0.721 499 HG23 THR 63 HG23 THR 63 16.271 5.248 -0.930 500 H PHE 64 H PHE 64 11.207 3.666 0.845 501 HA PHE 64 HA PHE 64 9.451 4.880 -1.188 502 HB2 PHE 64 HB3 PHE 64 9.482 2.456 -1.074 503 HB3 PHE 64 HB2 PHE 64 9.104 2.494 0.649 504 HD1 PHE 64 HD1 PHE 64 7.775 3.666 -2.655 505 HD2 PHE 64 HD2 PHE 64 6.872 2.386 1.344 506 HE1 PHE 64 HE1 PHE 64 5.353 3.718 -3.185 507 HE2 PHE 64 HE2 PHE 64 4.450 2.440 0.815 508 HZ PHE 64 HZ PHE 64 3.691 3.104 -1.450 509 H ASP 65 H ASP 65 8.267 6.629 -0.595 510 HA ASP 65 HA ASP 65 7.744 7.245 2.202 511 HB2 ASP 65 HB2 ASP 65 6.849 8.503 -0.402 512 HB3 ASP 65 HB3 ASP 65 6.350 9.117 1.176 513 H PHE 66 H PHE 66 5.871 6.861 3.345 514 HA PHE 66 HA PHE 66 3.860 5.117 2.067 515 HB2 PHE 66 HB3 PHE 66 4.703 4.560 4.327 516 HB3 PHE 66 HB2 PHE 66 4.089 6.099 4.929 517 HD1 PHE 66 HD1 PHE 66 3.165 2.767 3.640 518 HD2 PHE 66 HD2 PHE 66 1.704 6.484 5.222 519 HE1 PHE 66 HE1 PHE 66 0.931 1.745 3.979 520 HE2 PHE 66 HE2 PHE 66 -0.529 5.462 5.561 521 HZ PHE 66 HZ PHE 66 -0.916 3.091 4.940 522 H ARG 67 H ARG 67 4.096 8.353 3.493 523 HA ARG 67 HA ARG 67 1.329 9.003 3.473 524 HB2 ARG 67 HB3 ARG 67 3.078 10.397 4.556 525 HB3 ARG 67 HB2 ARG 67 3.677 10.856 2.961 526 HG2 ARG 67 HG3 ARG 67 2.205 12.615 3.714 527 HG3 ARG 67 HG2 ARG 67 1.368 11.732 2.436 528 HD2 ARG 67 HD3 ARG 67 -0.065 10.648 3.949 529 HD3 ARG 67 HD2 ARG 67 1.005 10.941 5.319 530 HE ARG 67 HE ARG 67 0.061 13.108 5.538 531 HH11 ARG 67 HH21 ARG 67 -0.816 11.548 2.593 532 HH12 ARG 67 HH22 ARG 67 -2.015 12.725 2.170 533 HH21 ARG 67 HH11 ARG 67 -1.499 14.655 5.005 534 HH22 ARG 67 HH12 ARG 67 -2.402 14.484 3.536 535 H THR 68 H THR 68 3.813 9.390 0.939 536 HA THR 68 HA THR 68 1.680 10.187 -0.971 537 HB THR 68 HB THR 68 3.474 10.847 -2.449 538 HG1 THR 68 HG1 THR 68 5.622 10.369 -0.997 539 HG21 THR 68 HG21 THR 68 3.055 12.485 -0.749 540 HG22 THR 68 HG22 THR 68 4.807 12.354 -0.903 541 HG23 THR 68 HG23 THR 68 3.979 11.573 0.444 542 H GLY 69 H GLY 69 3.643 7.482 -0.074 543 HA2 GLY 69 HA2 GLY 69 3.628 5.275 -0.878 544 HA3 GLY 69 HA3 GLY 69 2.207 5.710 -1.828 545 H LYS 70 H LYS 70 5.275 7.413 -2.083 546 HA LYS 70 HA LYS 70 5.721 6.113 -4.735 547 HB2 LYS 70 HB3 LYS 70 5.797 9.079 -4.107 548 HB3 LYS 70 HB2 LYS 70 6.378 8.370 -5.614 549 HG2 LYS 70 HG3 LYS 70 4.141 7.449 -6.061 550 HG3 LYS 70 HG2 LYS 70 3.551 8.126 -4.543 551 HD2 LYS 70 HD3 LYS 70 4.073 10.396 -5.340 552 HD3 LYS 70 HD2 LYS 70 4.680 9.729 -6.855 553 HE2 LYS 70 HE3 LYS 70 2.397 10.474 -7.210 554 HE3 LYS 70 HE2 LYS 70 2.422 8.711 -7.247 555 HZ1 LYS 70 HZ1 LYS 70 1.779 8.735 -4.884 556 HZ2 LYS 70 HZ2 LYS 70 0.609 9.445 -5.892 557 HZ3 LYS 70 HZ3 LYS 70 1.635 10.423 -4.953 558 H MET 71 H MET 71 7.955 6.094 -5.403 559 HA MET 71 HA MET 71 9.820 5.967 -3.157 560 HB2 MET 71 HB3 MET 71 9.853 5.258 -6.046 561 HB3 MET 71 HB2 MET 71 11.410 5.659 -5.322 562 HG2 MET 71 HG3 MET 71 11.152 3.962 -3.633 563 HG3 MET 71 HG2 MET 71 9.477 3.675 -4.101 564 HE1 MET 71 HE1 MET 71 10.434 1.347 -3.794 565 HE2 MET 71 HE2 MET 71 12.178 1.439 -4.018 566 HE3 MET 71 HE3 MET 71 11.216 0.405 -5.071 567 H LEU 72 H LEU 72 11.565 7.374 -2.779 568 HA LEU 72 HA LEU 72 12.290 9.510 -4.579 569 HB2 LEU 72 HB2 LEU 72 10.005 10.228 -3.608 570 HB3 LEU 72 HB3 LEU 72 10.869 10.450 -2.087 571 HG LEU 72 HG LEU 72 11.714 11.730 -4.700 572 HD11 LEU 72 HD11 LEU 72 10.843 13.834 -3.478 573 HD12 LEU 72 HD12 LEU 72 9.949 12.710 -2.455 574 HD13 LEU 72 HD13 LEU 72 9.641 12.758 -4.191 575 HD21 LEU 72 HD21 LEU 72 12.831 13.247 -2.835 576 HD22 LEU 72 HD22 LEU 72 13.602 11.745 -3.341 577 HD23 LEU 72 HD23 LEU 72 12.658 11.792 -1.853 Start of MODEL 15 1 H1 GLY 1 H1 GLY 1 -19.258 10.836 -0.481 2 H2 GLY 1 H2 GLY 1 -19.156 10.492 -2.141 3 H3 GLY 1 H3 GLY 1 -19.905 11.923 -1.612 4 HA2 GLY 1 HA2 GLY 1 -17.964 12.950 -2.116 5 HA3 GLY 1 HA3 GLY 1 -17.436 12.148 -0.604 6 H SER 2 H SER 2 -17.410 9.523 -1.016 7 HA SER 2 HA SER 2 -14.479 9.684 -1.344 8 HB2 SER 2 HB3 SER 2 -14.454 7.416 -0.486 9 HB3 SER 2 HB2 SER 2 -15.545 8.368 0.517 10 HG SER 2 HG SER 2 -16.637 6.530 -0.004 11 H MET 3 H MET 3 -17.050 9.323 -3.395 12 HA MET 3 HA MET 3 -17.323 8.322 -5.512 13 HB2 MET 3 HB3 MET 3 -14.341 8.878 -5.494 14 HB3 MET 3 HB2 MET 3 -15.285 8.504 -6.936 15 HG2 MET 3 HG3 MET 3 -15.829 10.842 -5.084 16 HG3 MET 3 HG2 MET 3 -14.968 10.958 -6.619 17 HE1 MET 3 HE1 MET 3 -16.240 11.517 -8.858 18 HE2 MET 3 HE2 MET 3 -17.411 10.288 -9.330 19 HE3 MET 3 HE3 MET 3 -15.841 9.801 -8.698 20 H GLU 4 H GLU 4 -15.006 6.822 -6.776 21 HA GLU 4 HA GLU 4 -15.655 4.223 -5.512 22 HB2 GLU 4 HB3 GLU 4 -14.592 3.259 -7.542 23 HB3 GLU 4 HB2 GLU 4 -15.886 4.387 -7.950 24 HG2 GLU 4 HG2 GLU 4 -14.197 6.180 -8.272 25 HG3 GLU 4 HG3 GLU 4 -12.918 5.013 -7.931 26 H ARG 5 H ARG 5 -13.848 6.063 -4.140 27 HA ARG 5 HA ARG 5 -11.780 5.997 -3.032 28 HB2 ARG 5 HB3 ARG 5 -12.127 3.106 -3.857 29 HB3 ARG 5 HB2 ARG 5 -10.751 3.654 -2.901 30 HG2 ARG 5 HG3 ARG 5 -12.054 4.151 -1.049 31 HG3 ARG 5 HG2 ARG 5 -13.502 4.440 -2.016 32 HD2 ARG 5 HD3 ARG 5 -13.857 2.362 -0.873 33 HD3 ARG 5 HD2 ARG 5 -13.498 1.953 -2.550 34 HE ARG 5 HE ARG 5 -11.076 1.980 -0.996 35 HH11 ARG 5 HH21 ARG 5 -13.983 0.233 -1.612 36 HH12 ARG 5 HH22 ARG 5 -13.302 -1.306 -1.208 37 HH21 ARG 5 HH11 ARG 5 -10.169 -0.022 -0.464 38 HH22 ARG 5 HH12 ARG 5 -11.142 -1.450 -0.557 39 H LYS 6 H LYS 6 -9.655 6.460 -3.589 40 HA LYS 6 HA LYS 6 -9.043 6.598 -6.426 41 HB2 LYS 6 HB3 LYS 6 -7.448 7.225 -3.930 42 HB3 LYS 6 HB2 LYS 6 -6.796 7.430 -5.556 43 HG2 LYS 6 HG3 LYS 6 -7.669 9.548 -5.196 44 HG3 LYS 6 HG2 LYS 6 -9.061 8.758 -5.937 45 HD2 LYS 6 HD3 LYS 6 -9.952 8.229 -3.690 46 HD3 LYS 6 HD2 LYS 6 -8.570 9.049 -2.957 47 HE2 LYS 6 HE3 LYS 6 -9.228 11.156 -4.045 48 HE3 LYS 6 HE2 LYS 6 -10.595 10.344 -4.808 49 HZ1 LYS 6 HZ1 LYS 6 -10.958 11.617 -2.616 50 HZ2 LYS 6 HZ2 LYS 6 -10.262 10.250 -1.884 51 HZ3 LYS 6 HZ3 LYS 6 -11.680 10.094 -2.807 52 H ARG 7 H ARG 7 -7.115 5.587 -7.402 53 HA ARG 7 HA ARG 7 -6.016 3.227 -6.013 54 HB2 ARG 7 HB3 ARG 7 -7.625 3.025 -8.577 55 HB3 ARG 7 HB2 ARG 7 -6.633 1.724 -7.916 56 HG2 ARG 7 HG3 ARG 7 -7.973 1.865 -5.795 57 HG3 ARG 7 HG2 ARG 7 -9.035 3.022 -6.600 58 HD2 ARG 7 HD3 ARG 7 -10.021 0.808 -6.784 59 HD3 ARG 7 HD2 ARG 7 -9.463 1.311 -8.380 60 HE ARG 7 HE ARG 7 -7.366 -0.144 -7.107 61 HH11 ARG 7 HH21 ARG 7 -10.535 -0.512 -8.412 62 HH12 ARG 7 HH22 ARG 7 -10.297 -2.166 -8.873 63 HH21 ARG 7 HH11 ARG 7 -7.037 -2.300 -7.701 64 HH22 ARG 7 HH12 ARG 7 -8.317 -3.177 -8.470 65 H TRP 8 H TRP 8 -3.959 2.735 -6.768 66 HA TRP 8 HA TRP 8 -3.031 3.515 -9.399 67 HB2 TRP 8 HB3 TRP 8 -1.185 4.990 -8.000 68 HB3 TRP 8 HB2 TRP 8 -2.560 5.675 -8.868 69 HD1 TRP 8 HD1 TRP 8 -2.411 3.829 -5.468 70 HE1 TRP 8 HE1 TRP 8 -3.567 5.311 -3.703 71 HE3 TRP 8 HE3 TRP 8 -3.526 7.905 -8.333 72 HZ2 TRP 8 HZ2 TRP 8 -4.802 7.885 -3.530 73 HZ3 TRP 8 HZ3 TRP 8 -4.692 9.857 -7.344 74 HH2 TRP 8 HH2 TRP 8 -5.330 9.851 -4.949 75 H GLU 9 H GLU 9 -1.153 2.384 -9.892 76 HA GLU 9 HA GLU 9 -0.173 0.514 -7.835 77 HB2 GLU 9 HB3 GLU 9 0.457 0.842 -10.780 78 HB3 GLU 9 HB2 GLU 9 1.202 -0.382 -9.751 79 HG2 GLU 9 HG2 GLU 9 -1.016 -1.308 -9.224 80 HG3 GLU 9 HG3 GLU 9 -1.778 -0.073 -10.227 81 H CYS 10 H CYS 10 1.807 0.684 -6.830 82 HA CYS 10 HA CYS 10 3.326 3.183 -7.323 83 HB2 CYS 10 HB3 CYS 10 3.771 1.110 -5.158 84 HB3 CYS 10 HB2 CYS 10 4.377 2.765 -5.192 85 HG CYS 10 HG CYS 10 1.931 3.625 -4.867 86 HA PRO 11 HA PRO 11 6.436 1.014 -9.607 87 HB2 PRO 11 HB3 PRO 11 8.474 2.816 -9.322 88 HB3 PRO 11 HB2 PRO 11 7.092 3.072 -10.405 89 HG2 PRO 11 HG3 PRO 11 7.599 4.178 -7.688 90 HG3 PRO 11 HG2 PRO 11 6.905 4.964 -9.116 91 HD2 PRO 11 HD3 PRO 11 5.353 4.025 -7.050 92 HD3 PRO 11 HD2 PRO 11 4.780 4.099 -8.731 93 H ALA 12 H ALA 12 6.735 1.745 -6.252 94 HA ALA 12 HA ALA 12 9.313 0.321 -5.982 95 HB1 ALA 12 HB1 ALA 12 9.181 0.933 -3.631 96 HB2 ALA 12 HB2 ALA 12 7.503 1.443 -3.822 97 HB3 ALA 12 HB3 ALA 12 8.796 2.352 -4.602 98 H LEU 13 H LEU 13 6.001 -0.425 -6.046 99 HA LEU 13 HA LEU 13 6.361 -2.839 -4.346 100 HB2 LEU 13 HB2 LEU 13 3.999 -1.303 -5.366 101 HB3 LEU 13 HB3 LEU 13 3.796 -3.018 -5.005 102 HG LEU 13 HG LEU 13 4.507 -2.706 -2.729 103 HD11 LEU 13 HD11 LEU 13 6.283 -1.186 -2.784 104 HD12 LEU 13 HD12 LEU 13 5.003 -0.214 -2.057 105 HD13 LEU 13 HD13 LEU 13 5.391 -0.028 -3.769 106 HD21 LEU 13 HD21 LEU 13 2.686 -1.478 -1.922 107 HD22 LEU 13 HD22 LEU 13 2.166 -1.848 -3.566 108 HD23 LEU 13 HD23 LEU 13 2.823 -0.256 -3.187 109 HA PRO 14 HA PRO 14 6.790 -5.432 -7.902 110 HB2 PRO 14 HB3 PRO 14 5.800 -7.773 -6.891 111 HB3 PRO 14 HB2 PRO 14 7.390 -7.121 -6.456 112 HG2 PRO 14 HG3 PRO 14 4.824 -7.012 -4.952 113 HG3 PRO 14 HG2 PRO 14 6.471 -7.273 -4.358 114 HD2 PRO 14 HD3 PRO 14 5.209 -4.838 -4.171 115 HD3 PRO 14 HD2 PRO 14 6.972 -4.999 -4.324 116 H GLN 15 H GLN 15 5.544 -6.299 -9.626 117 HA GLN 15 HA GLN 15 2.958 -5.279 -10.056 118 HB2 GLN 15 HB3 GLN 15 2.780 -7.129 -11.803 119 HB3 GLN 15 HB2 GLN 15 4.199 -6.090 -11.940 120 HG2 GLN 15 HG2 GLN 15 5.533 -7.766 -10.693 121 HG3 GLN 15 HG3 GLN 15 4.118 -8.814 -10.609 122 HE21 GLN 15 HE21 GLN 15 5.492 -10.393 -11.888 123 HE22 GLN 15 HE22 GLN 15 5.590 -10.205 -13.572 124 H GLY 16 H GLY 16 0.976 -5.867 -9.296 125 HA2 GLY 16 HA2 GLY 16 -0.556 -7.858 -8.928 126 HA3 GLY 16 HA3 GLY 16 0.752 -8.533 -7.954 127 H TRP 17 H TRP 17 1.370 -5.761 -6.911 128 HA TRP 17 HA TRP 17 -0.571 -5.846 -4.695 129 HB2 TRP 17 HB3 TRP 17 1.915 -4.181 -5.186 130 HB3 TRP 17 HB2 TRP 17 0.912 -4.043 -3.742 131 HD1 TRP 17 HD1 TRP 17 2.194 -7.159 -5.653 132 HE1 TRP 17 HE1 TRP 17 3.340 -8.722 -3.953 133 HE3 TRP 17 HE3 TRP 17 1.750 -4.336 -1.421 134 HZ2 TRP 17 HZ2 TRP 17 3.982 -8.769 -1.165 135 HZ3 TRP 17 HZ3 TRP 17 2.637 -5.163 0.740 136 HH2 TRP 17 HH2 TRP 17 3.751 -7.374 0.874 137 H GLU 18 H GLU 18 -1.849 -3.999 -4.078 138 HA GLU 18 HA GLU 18 -2.197 -1.963 -6.239 139 HB2 GLU 18 HB3 GLU 18 -4.365 -3.423 -4.700 140 HB3 GLU 18 HB2 GLU 18 -4.653 -2.047 -5.766 141 HG2 GLU 18 HG2 GLU 18 -3.305 -4.613 -6.652 142 HG3 GLU 18 HG3 GLU 18 -5.022 -4.273 -6.876 143 H ARG 19 H ARG 19 -2.737 0.133 -5.498 144 HA ARG 19 HA ARG 19 -2.752 0.483 -2.529 145 HB2 ARG 19 HB3 ARG 19 -0.553 1.140 -3.324 146 HB3 ARG 19 HB2 ARG 19 -1.267 2.127 -4.599 147 HG2 ARG 19 HG3 ARG 19 -2.324 3.567 -2.892 148 HG3 ARG 19 HG2 ARG 19 -1.596 2.588 -1.620 149 HD2 ARG 19 HD3 ARG 19 0.650 3.164 -2.440 150 HD3 ARG 19 HD2 ARG 19 -0.061 4.119 -3.740 151 HE ARG 19 HE ARG 19 0.056 4.886 -0.896 152 HH11 ARG 19 HH21 ARG 19 -1.222 5.357 -4.064 153 HH12 ARG 19 HH22 ARG 19 -1.698 6.996 -3.774 154 HH21 ARG 19 HH11 ARG 19 -0.558 7.026 -0.499 155 HH22 ARG 19 HH12 ARG 19 -1.322 7.941 -1.755 156 H GLU 20 H GLU 20 -4.526 1.590 -1.857 157 HA GLU 20 HA GLU 20 -5.798 3.499 -3.766 158 HB2 GLU 20 HB3 GLU 20 -8.021 2.681 -3.084 159 HB3 GLU 20 HB2 GLU 20 -7.072 1.377 -3.801 160 HG2 GLU 20 HG2 GLU 20 -6.423 0.617 -1.531 161 HG3 GLU 20 HG3 GLU 20 -7.424 1.890 -0.833 162 H GLU 21 H GLU 21 -6.535 5.380 -2.797 163 HA GLU 21 HA GLU 21 -5.940 5.653 0.109 164 HB2 GLU 21 HB3 GLU 21 -4.839 7.254 -1.431 165 HB3 GLU 21 HB2 GLU 21 -6.423 7.788 -1.993 166 HG2 GLU 21 HG2 GLU 21 -7.002 8.517 0.282 167 HG3 GLU 21 HG3 GLU 21 -5.437 7.954 0.872 168 H VAL 22 H VAL 22 -7.520 6.630 1.506 169 HA VAL 22 HA VAL 22 -10.272 6.830 0.378 170 HB VAL 22 HB VAL 22 -9.745 5.515 3.043 171 HG11 VAL 22 HG21 VAL 22 -11.983 4.753 2.834 172 HG12 VAL 22 HG22 VAL 22 -12.027 5.106 1.106 173 HG13 VAL 22 HG23 VAL 22 -12.032 6.425 2.275 174 HG21 VAL 22 HG13 VAL 22 -9.714 4.311 0.272 175 HG22 VAL 22 HG11 VAL 22 -10.168 3.352 1.682 176 HG23 VAL 22 HG12 VAL 22 -8.560 4.071 1.584 177 HA PRO 23 HA PRO 23 -9.859 10.572 2.782 178 HB2 PRO 23 HB3 PRO 23 -12.187 11.721 1.984 179 HB3 PRO 23 HB2 PRO 23 -10.761 11.627 0.933 180 HG2 PRO 23 HG3 PRO 23 -13.230 9.972 0.926 181 HG3 PRO 23 HG2 PRO 23 -12.261 10.565 -0.433 182 HD2 PRO 23 HD3 PRO 23 -12.096 7.966 0.565 183 HD3 PRO 23 HD2 PRO 23 -10.800 8.773 -0.342 184 H ARG 24 H ARG 24 -10.565 11.157 4.832 185 HA ARG 24 HA ARG 24 -12.683 9.500 6.056 186 HB2 ARG 24 HB3 ARG 24 -10.488 9.964 7.219 187 HB3 ARG 24 HB2 ARG 24 -10.985 11.653 7.349 188 HG2 ARG 24 HG3 ARG 24 -12.846 11.104 8.736 189 HG3 ARG 24 HG2 ARG 24 -12.704 9.384 8.369 190 HD2 ARG 24 HD3 ARG 24 -10.577 10.984 9.817 191 HD3 ARG 24 HD2 ARG 24 -11.798 10.007 10.630 192 HE ARG 24 HE ARG 24 -10.591 8.278 8.798 193 HH11 ARG 24 HH21 ARG 24 -9.640 10.319 11.409 194 HH12 ARG 24 HH22 ARG 24 -8.299 9.325 11.872 195 HH21 ARG 24 HH11 ARG 24 -8.845 6.970 9.387 196 HH22 ARG 24 HH12 ARG 24 -7.848 7.429 10.727 197 H ARG 25 H ARG 25 -14.270 10.711 7.532 198 HA ARG 25 HA ARG 25 -15.181 13.197 6.136 199 HB2 ARG 25 HB3 ARG 25 -16.849 11.025 7.443 200 HB3 ARG 25 HB2 ARG 25 -17.489 12.503 6.726 201 HG2 ARG 25 HG3 ARG 25 -16.603 11.866 4.538 202 HG3 ARG 25 HG2 ARG 25 -15.859 10.426 5.234 203 HD2 ARG 25 HD3 ARG 25 -18.836 10.993 5.290 204 HD3 ARG 25 HD2 ARG 25 -18.047 9.962 4.096 205 HE ARG 25 HE ARG 25 -17.278 9.004 6.640 206 HH11 ARG 25 HH21 ARG 25 -20.106 9.464 4.721 207 HH12 ARG 25 HH22 ARG 25 -20.956 8.125 5.414 208 HH21 ARG 25 HH11 ARG 25 -18.374 7.252 7.556 209 HH22 ARG 25 HH12 ARG 25 -19.976 6.871 7.019 210 H SER 26 H SER 26 -17.356 13.142 8.346 211 HA SER 26 HA SER 26 -16.526 15.173 9.978 212 HB2 SER 26 HB3 SER 26 -17.950 14.107 11.809 213 HB3 SER 26 HB2 SER 26 -18.749 14.340 10.258 214 HG SER 26 HG SER 26 -18.776 12.237 9.948 215 H GLY 27 H GLY 27 -15.777 15.101 12.321 216 HA2 GLY 27 HA2 GLY 27 -14.507 13.869 14.044 217 HA3 GLY 27 HA3 GLY 27 -13.793 12.908 12.748 218 H LEU 28 H LEU 28 -12.372 14.489 14.768 219 HA LEU 28 HA LEU 28 -11.439 16.975 13.755 220 HB2 LEU 28 HB2 LEU 28 -10.031 14.903 15.467 221 HB3 LEU 28 HB3 LEU 28 -9.419 16.533 15.181 222 HG LEU 28 HG LEU 28 -12.131 15.905 16.382 223 HD11 LEU 28 HD11 LEU 28 -9.480 16.667 17.627 224 HD12 LEU 28 HD12 LEU 28 -10.480 15.261 17.992 225 HD13 LEU 28 HD13 LEU 28 -11.018 16.872 18.465 226 HD21 LEU 28 HD21 LEU 28 -10.666 18.392 15.598 227 HD22 LEU 28 HD22 LEU 28 -11.649 18.443 17.061 228 HD23 LEU 28 HD23 LEU 28 -12.391 18.035 15.514 229 H SER 29 H SER 29 -10.253 13.659 13.216 230 HA SER 29 HA SER 29 -8.060 14.475 11.518 231 HB2 SER 29 HB3 SER 29 -9.441 11.892 12.144 232 HB3 SER 29 HB2 SER 29 -8.405 11.967 10.721 233 HG SER 29 HG SER 29 -6.925 11.586 12.192 234 H ALA 30 H ALA 30 -10.712 15.629 10.854 235 HA ALA 30 HA ALA 30 -11.757 14.372 8.489 236 HB1 ALA 30 HB1 ALA 30 -11.872 17.245 9.449 237 HB2 ALA 30 HB2 ALA 30 -13.102 16.002 9.676 238 HB3 ALA 30 HB3 ALA 30 -12.776 16.634 8.063 239 H GLY 31 H GLY 31 -11.390 14.944 6.276 240 HA2 GLY 31 HA2 GLY 31 -10.174 15.825 4.447 241 HA3 GLY 31 HA3 GLY 31 -9.294 16.857 5.578 242 H HIS 32 H HIS 32 -8.814 14.231 7.177 243 HA HIS 32 HA HIS 32 -6.192 13.712 6.066 244 HB2 HIS 32 HB2 HIS 32 -7.795 12.265 8.196 245 HB3 HIS 32 HB3 HIS 32 -6.111 11.911 7.810 246 HD1 HIS 32 HD1 HIS 32 -8.220 14.932 8.820 247 HD2 HIS 32 HD2 HIS 32 -4.331 13.478 9.232 248 HE1 HIS 32 HE1 HIS 32 -6.995 16.570 10.318 249 HE2 HIS 32 HE2 HIS 32 -4.628 15.694 10.575 250 H ARG 33 H ARG 33 -5.609 12.168 4.594 251 HA ARG 33 HA ARG 33 -7.757 10.311 3.669 252 HB2 ARG 33 HB3 ARG 33 -5.230 10.889 2.138 253 HB3 ARG 33 HB2 ARG 33 -6.802 10.372 1.524 254 HG2 ARG 33 HG3 ARG 33 -6.438 13.037 2.898 255 HG3 ARG 33 HG2 ARG 33 -6.168 12.843 1.165 256 HD2 ARG 33 HD3 ARG 33 -8.414 13.394 1.145 257 HD3 ARG 33 HD2 ARG 33 -8.542 11.642 1.293 258 HE ARG 33 HE ARG 33 -8.494 12.387 3.905 259 HH11 ARG 33 HH21 ARG 33 -10.162 13.594 1.141 260 HH12 ARG 33 HH22 ARG 33 -11.538 14.137 2.042 261 HH21 ARG 33 HH11 ARG 33 -10.281 13.089 5.098 262 HH22 ARG 33 HH12 ARG 33 -11.605 13.850 4.284 263 H ASP 34 H ASP 34 -7.495 8.381 4.718 264 HA ASP 34 HA ASP 34 -4.864 7.414 5.525 265 HB2 ASP 34 HB2 ASP 34 -6.892 6.894 6.844 266 HB3 ASP 34 HB3 ASP 34 -7.546 5.994 5.476 267 H VAL 35 H VAL 35 -3.572 5.990 4.414 268 HA VAL 35 HA VAL 35 -4.566 5.102 1.743 269 HB VAL 35 HB VAL 35 -1.717 5.287 2.772 270 HG11 VAL 35 HG21 VAL 35 -1.122 4.977 0.406 271 HG12 VAL 35 HG22 VAL 35 -2.829 4.851 -0.018 272 HG13 VAL 35 HG23 VAL 35 -2.072 3.610 0.984 273 HG21 VAL 35 HG13 VAL 35 -1.530 7.347 1.620 274 HG22 VAL 35 HG11 VAL 35 -3.085 7.463 2.443 275 HG23 VAL 35 HG12 VAL 35 -3.024 7.078 0.723 276 H PHE 36 H PHE 36 -4.932 2.953 1.446 277 HA PHE 36 HA PHE 36 -3.781 1.066 3.462 278 HB2 PHE 36 HB3 PHE 36 -6.384 1.005 1.923 279 HB3 PHE 36 HB2 PHE 36 -5.738 -0.418 2.740 280 HD1 PHE 36 HD1 PHE 36 -5.561 -0.504 5.184 281 HD2 PHE 36 HD2 PHE 36 -7.196 2.927 3.185 282 HE1 PHE 36 HE1 PHE 36 -6.479 0.312 7.337 283 HE2 PHE 36 HE2 PHE 36 -8.114 3.743 5.339 284 HZ PHE 36 HZ PHE 36 -7.757 2.436 7.415 285 H TYR 37 H TYR 37 -2.749 -0.790 2.683 286 HA TYR 37 HA TYR 37 -2.289 -0.830 -0.270 287 HB2 TYR 37 HB3 TYR 37 -0.536 -1.994 1.913 288 HB3 TYR 37 HB2 TYR 37 -0.139 -1.864 0.199 289 HD1 TYR 37 HD1 TYR 37 -0.673 0.030 3.330 290 HD2 TYR 37 HD2 TYR 37 0.523 0.241 -0.790 291 HE1 TYR 37 HE1 TYR 37 0.213 2.317 3.705 292 HE2 TYR 37 HE2 TYR 37 1.409 2.528 -0.416 293 HH TYR 37 HH TYR 37 0.997 4.170 2.702 294 H TYR 38 H TYR 38 -2.570 -2.782 -1.373 295 HA TYR 38 HA TYR 38 -3.693 -5.029 0.255 296 HB2 TYR 38 HB3 TYR 38 -4.389 -4.093 -2.541 297 HB3 TYR 38 HB2 TYR 38 -4.937 -5.628 -1.867 298 HD1 TYR 38 HD2 TYR 38 -4.797 -1.984 -0.975 299 HD2 TYR 38 HD1 TYR 38 -6.971 -5.681 -0.728 300 HE1 TYR 38 HE2 TYR 38 -6.654 -0.814 0.181 301 HE2 TYR 38 HE1 TYR 38 -8.828 -4.512 0.429 302 HH TYR 38 HH TYR 38 -9.640 -1.897 0.419 303 H SER 39 H SER 39 -2.745 -7.020 -0.023 304 HA SER 39 HA SER 39 -0.398 -7.142 -1.831 305 HB2 SER 39 HB3 SER 39 0.487 -8.532 -0.284 306 HB3 SER 39 HB2 SER 39 -0.877 -8.101 0.744 307 HG SER 39 HG SER 39 -0.369 -10.452 0.007 308 HA PRO 40 HA PRO 40 -1.931 -9.924 -4.872 309 HB2 PRO 40 HB3 PRO 40 -0.386 -12.213 -3.757 310 HB3 PRO 40 HB2 PRO 40 -0.356 -11.520 -5.390 311 HG2 PRO 40 HG3 PRO 40 1.636 -11.105 -3.688 312 HG3 PRO 40 HG2 PRO 40 1.090 -9.835 -4.795 313 HD2 PRO 40 HD3 PRO 40 0.587 -10.101 -1.850 314 HD3 PRO 40 HD2 PRO 40 0.836 -8.632 -2.819 315 H SER 41 H SER 41 -1.993 -11.219 -1.590 316 HA SER 41 HA SER 41 -4.126 -13.142 -2.301 317 HB2 SER 41 HB3 SER 41 -2.793 -12.529 0.354 318 HB3 SER 41 HB2 SER 41 -3.965 -13.816 0.083 319 HG SER 41 HG SER 41 -1.431 -13.504 -1.165 320 H GLY 42 H GLY 42 -3.978 -9.902 -1.599 321 HA2 GLY 42 HA2 GLY 42 -5.874 -8.467 -1.355 322 HA3 GLY 42 HA3 GLY 42 -6.842 -9.867 -0.887 323 H LYS 43 H LYS 43 -3.758 -9.442 0.637 324 HA LYS 43 HA LYS 43 -5.017 -9.242 3.250 325 HB2 LYS 43 HB3 LYS 43 -2.903 -10.452 2.980 326 HB3 LYS 43 HB2 LYS 43 -2.112 -8.980 2.415 327 HG2 LYS 43 HG3 LYS 43 -2.617 -7.897 4.595 328 HG3 LYS 43 HG2 LYS 43 -3.331 -9.409 5.158 329 HD2 LYS 43 HD3 LYS 43 -1.232 -10.557 5.018 330 HD3 LYS 43 HD2 LYS 43 -0.487 -9.221 4.140 331 HE2 LYS 43 HE3 LYS 43 0.289 -8.905 6.338 332 HE3 LYS 43 HE2 LYS 43 -1.087 -7.805 6.239 333 HZ1 LYS 43 HZ1 LYS 43 -0.933 -9.355 8.242 334 HZ2 LYS 43 HZ2 LYS 43 -1.420 -10.585 7.176 335 HZ3 LYS 43 HZ3 LYS 43 -2.426 -9.243 7.445 336 H LYS 44 H LYS 44 -5.534 -7.388 4.321 337 HA LYS 44 HA LYS 44 -4.757 -4.807 3.087 338 HB2 LYS 44 HB3 LYS 44 -6.733 -5.519 5.272 339 HB3 LYS 44 HB2 LYS 44 -6.405 -3.866 4.748 340 HG2 LYS 44 HG3 LYS 44 -7.095 -4.435 2.461 341 HG3 LYS 44 HG2 LYS 44 -7.387 -6.104 2.951 342 HD2 LYS 44 HD3 LYS 44 -9.522 -5.026 2.995 343 HD3 LYS 44 HD2 LYS 44 -9.019 -5.172 4.679 344 HE2 LYS 44 HE3 LYS 44 -8.490 -2.893 4.852 345 HE3 LYS 44 HE2 LYS 44 -8.343 -2.697 3.106 346 HZ1 LYS 44 HZ1 LYS 44 -10.885 -3.299 4.514 347 HZ2 LYS 44 HZ2 LYS 44 -10.694 -2.942 2.864 348 HZ3 LYS 44 HZ3 LYS 44 -10.404 -1.744 4.035 349 H PHE 45 H PHE 45 -3.006 -3.753 3.875 350 HA PHE 45 HA PHE 45 -2.446 -3.902 6.791 351 HB2 PHE 45 HB3 PHE 45 0.039 -4.101 6.153 352 HB3 PHE 45 HB2 PHE 45 -0.940 -5.558 5.990 353 HD1 PHE 45 HD2 PHE 45 -2.071 -5.938 3.657 354 HD2 PHE 45 HD1 PHE 45 1.278 -3.331 4.319 355 HE1 PHE 45 HE2 PHE 45 -1.508 -6.049 1.245 356 HE2 PHE 45 HE1 PHE 45 1.841 -3.441 1.907 357 HZ PHE 45 HZ PHE 45 0.447 -4.801 0.369 358 H ARG 46 H ARG 46 -1.312 -2.046 7.578 359 HA ARG 46 HA ARG 46 -0.701 0.087 5.603 360 HB2 ARG 46 HB3 ARG 46 -1.883 1.703 7.257 361 HB3 ARG 46 HB2 ARG 46 -2.894 0.752 6.170 362 HG2 ARG 46 HG3 ARG 46 -3.460 -0.800 7.884 363 HG3 ARG 46 HG2 ARG 46 -2.177 -0.213 8.943 364 HD2 ARG 46 HD3 ARG 46 -4.565 1.435 8.064 365 HD3 ARG 46 HD2 ARG 46 -4.433 0.616 9.620 366 HE ARG 46 HE ARG 46 -2.133 2.191 9.431 367 HH11 ARG 46 HH21 ARG 46 -5.552 2.612 9.294 368 HH12 ARG 46 HH22 ARG 46 -5.515 4.213 9.953 369 HH21 ARG 46 HH11 ARG 46 -2.065 4.281 10.293 370 HH22 ARG 46 HH12 ARG 46 -3.540 5.157 10.518 371 H SER 47 H SER 47 1.439 -0.898 6.472 372 HA SER 47 HA SER 47 2.367 0.871 8.657 373 HB2 SER 47 HB3 SER 47 3.213 -1.994 8.809 374 HB3 SER 47 HB2 SER 47 3.082 -0.797 10.095 375 HG SER 47 HG SER 47 0.902 -1.067 10.118 376 H LYS 48 H LYS 48 4.337 1.694 8.114 377 HA LYS 48 HA LYS 48 5.573 1.091 5.617 378 HB2 LYS 48 HB3 LYS 48 5.843 3.087 7.473 379 HB3 LYS 48 HB2 LYS 48 7.343 2.190 7.712 380 HG2 LYS 48 HG3 LYS 48 6.335 3.131 5.012 381 HG3 LYS 48 HG2 LYS 48 7.538 3.989 5.977 382 HD2 LYS 48 HD3 LYS 48 8.671 1.558 5.998 383 HD3 LYS 48 HD2 LYS 48 7.791 1.427 4.474 384 HE2 LYS 48 HE3 LYS 48 10.010 3.297 5.227 385 HE3 LYS 48 HE2 LYS 48 9.778 2.382 3.738 386 HZ1 LYS 48 HZ1 LYS 48 7.653 4.225 4.192 387 HZ2 LYS 48 HZ2 LYS 48 8.660 4.053 2.835 388 HZ3 LYS 48 HZ3 LYS 48 9.153 5.015 4.144 389 HA PRO 49 HA PRO 49 8.726 -1.367 8.505 390 HB2 PRO 49 HB3 PRO 49 6.707 -2.370 10.448 391 HB3 PRO 49 HB2 PRO 49 8.371 -1.824 10.728 392 HG2 PRO 49 HG3 PRO 49 6.304 -0.327 11.444 393 HG3 PRO 49 HG2 PRO 49 7.778 0.397 10.781 394 HD2 PRO 49 HD3 PRO 49 5.129 -0.071 9.425 395 HD3 PRO 49 HD2 PRO 49 6.238 1.308 9.256 396 H GLN 50 H GLN 50 5.342 -2.467 8.221 397 HA GLN 50 HA GLN 50 5.970 -5.237 7.812 398 HB2 GLN 50 HB3 GLN 50 3.704 -4.435 8.414 399 HB3 GLN 50 HB2 GLN 50 3.568 -3.662 6.833 400 HG2 GLN 50 HG2 GLN 50 3.770 -5.822 5.716 401 HG3 GLN 50 HG3 GLN 50 4.029 -6.628 7.264 402 HE21 GLN 50 HE21 GLN 50 1.835 -7.358 5.578 403 HE22 GLN 50 HE22 GLN 50 0.391 -6.898 6.345 404 H LEU 51 H LEU 51 5.576 -2.498 5.586 405 HA LEU 51 HA LEU 51 5.726 -4.036 3.169 406 HB2 LEU 51 HB2 LEU 51 6.059 -1.162 3.910 407 HB3 LEU 51 HB3 LEU 51 6.699 -1.680 2.349 408 HG LEU 51 HG LEU 51 4.525 -2.577 1.707 409 HD11 LEU 51 HD11 LEU 51 3.404 -3.386 3.542 410 HD12 LEU 51 HD12 LEU 51 2.637 -1.800 3.462 411 HD13 LEU 51 HD13 LEU 51 3.964 -2.083 4.590 412 HD21 LEU 51 HD21 LEU 51 3.958 0.131 2.913 413 HD22 LEU 51 HD22 LEU 51 3.409 -0.521 1.369 414 HD23 LEU 51 HD23 LEU 51 5.096 -0.046 1.576 415 H ALA 52 H ALA 52 8.224 -2.342 5.074 416 HA ALA 52 HA ALA 52 10.375 -3.124 3.297 417 HB1 ALA 52 HB1 ALA 52 10.583 -1.160 4.759 418 HB2 ALA 52 HB2 ALA 52 11.850 -2.330 5.128 419 HB3 ALA 52 HB3 ALA 52 10.443 -2.191 6.183 420 H ARG 53 H ARG 53 9.267 -4.307 6.484 421 HA ARG 53 HA ARG 53 11.207 -6.362 6.773 422 HB2 ARG 53 HB3 ARG 53 8.355 -6.147 7.771 423 HB3 ARG 53 HB2 ARG 53 9.443 -7.454 8.240 424 HG2 ARG 53 HG3 ARG 53 11.036 -5.846 9.162 425 HG3 ARG 53 HG2 ARG 53 10.027 -4.504 8.623 426 HD2 ARG 53 HD3 ARG 53 9.627 -4.934 11.000 427 HD3 ARG 53 HD2 ARG 53 8.185 -5.338 10.069 428 HE ARG 53 HE ARG 53 9.973 -7.611 10.501 429 HH11 ARG 53 HH21 ARG 53 7.384 -5.667 11.685 430 HH12 ARG 53 HH22 ARG 53 6.730 -6.915 12.691 431 HH21 ARG 53 HH11 ARG 53 9.133 -9.254 11.809 432 HH22 ARG 53 HH12 ARG 53 7.720 -8.945 12.762 433 H TYR 54 H TYR 54 8.204 -6.245 4.935 434 HA TYR 54 HA TYR 54 8.306 -9.128 4.350 435 HB2 TYR 54 HB3 TYR 54 6.170 -7.688 4.606 436 HB3 TYR 54 HB2 TYR 54 6.529 -7.110 2.979 437 HD1 TYR 54 HD2 TYR 54 6.166 -10.282 4.943 438 HD2 TYR 54 HD1 TYR 54 5.819 -8.350 1.122 439 HE1 TYR 54 HE2 TYR 54 5.173 -12.344 3.991 440 HE2 TYR 54 HE1 TYR 54 4.826 -10.414 0.169 441 HH TYR 54 HH TYR 54 3.481 -12.463 1.228 442 H LEU 55 H LEU 55 8.470 -6.114 2.414 443 HA LEU 55 HA LEU 55 9.639 -7.677 0.183 444 HB2 LEU 55 HB2 LEU 55 8.787 -4.770 0.361 445 HB3 LEU 55 HB3 LEU 55 9.376 -5.563 -1.100 446 HG LEU 55 HG LEU 55 6.958 -6.485 0.477 447 HD11 LEU 55 HD11 LEU 55 5.791 -5.615 -1.676 448 HD12 LEU 55 HD12 LEU 55 7.261 -4.672 -1.913 449 HD13 LEU 55 HD13 LEU 55 6.284 -4.429 -0.466 450 HD21 LEU 55 HD21 LEU 55 8.382 -7.391 -2.003 451 HD22 LEU 55 HD22 LEU 55 6.631 -7.582 -1.915 452 HD23 LEU 55 HD23 LEU 55 7.665 -8.354 -0.712 453 H GLY 56 H GLY 56 10.861 -6.405 2.893 454 HA2 GLY 56 HA2 GLY 56 12.877 -4.593 2.304 455 HA3 GLY 56 HA3 GLY 56 13.092 -5.901 3.469 456 H GLY 57 H GLY 57 13.639 -8.086 2.443 457 HA2 GLY 57 HA2 GLY 57 16.036 -7.873 0.947 458 HA3 GLY 57 HA3 GLY 57 15.106 -9.363 1.129 459 H SER 58 H SER 58 12.718 -8.606 -0.139 460 HA SER 58 HA SER 58 13.321 -9.115 -2.864 461 HB2 SER 58 HB3 SER 58 11.000 -8.750 -3.296 462 HB3 SER 58 HB2 SER 58 11.082 -9.410 -1.666 463 HG SER 58 HG SER 58 10.265 -6.950 -2.540 464 H MET 59 H MET 59 12.905 -6.074 -1.114 465 HA MET 59 HA MET 59 14.362 -4.602 -3.124 466 HB2 MET 59 HB3 MET 59 11.500 -4.854 -3.476 467 HB3 MET 59 HB2 MET 59 11.932 -3.168 -3.181 468 HG2 MET 59 HG3 MET 59 13.467 -4.858 -5.155 469 HG3 MET 59 HG2 MET 59 12.003 -3.994 -5.628 470 HE1 MET 59 HE1 MET 59 12.621 -0.449 -5.589 471 HE2 MET 59 HE2 MET 59 12.228 -1.052 -3.981 472 HE3 MET 59 HE3 MET 59 11.508 -1.811 -5.400 473 H ASP 60 H ASP 60 14.483 -2.256 -2.521 474 HA ASP 60 HA ASP 60 14.255 -1.980 0.424 475 HB2 ASP 60 HB2 ASP 60 16.408 -1.449 -0.801 476 HB3 ASP 60 HB3 ASP 60 15.570 -0.084 -1.538 477 H LEU 61 H LEU 61 12.400 -1.066 1.152 478 HA LEU 61 HA LEU 61 11.016 0.906 -0.611 479 HB2 LEU 61 HB2 LEU 61 9.978 -0.739 1.717 480 HB3 LEU 61 HB3 LEU 61 9.021 0.430 0.807 481 HG LEU 61 HG LEU 61 10.397 -1.990 -0.397 482 HD11 LEU 61 HD11 LEU 61 7.477 -1.472 0.247 483 HD12 LEU 61 HD12 LEU 61 8.521 -2.644 1.048 484 HD13 LEU 61 HD13 LEU 61 8.088 -2.865 -0.646 485 HD21 LEU 61 HD21 LEU 61 10.207 -0.500 -2.171 486 HD22 LEU 61 HD22 LEU 61 8.803 0.308 -1.475 487 HD23 LEU 61 HD23 LEU 61 8.621 -1.270 -2.239 488 H SER 62 H SER 62 13.169 0.915 1.843 489 HA SER 62 HA SER 62 12.146 2.575 3.867 490 HB2 SER 62 HB3 SER 62 14.476 3.344 4.186 491 HB3 SER 62 HB2 SER 62 14.404 1.601 3.950 492 HG SER 62 HG SER 62 14.676 3.246 1.704 493 H THR 63 H THR 63 13.293 3.435 0.628 494 HA THR 63 HA THR 63 12.971 6.305 1.121 495 HB THR 63 HB THR 63 13.448 6.500 -1.319 496 HG1 THR 63 HG1 THR 63 14.107 3.863 -1.569 497 HG21 THR 63 HG21 THR 63 15.731 5.847 -1.162 498 HG22 THR 63 HG22 THR 63 15.358 4.543 -0.037 499 HG23 THR 63 HG23 THR 63 15.238 6.221 0.488 500 H PHE 64 H PHE 64 10.695 4.127 1.150 501 HA PHE 64 HA PHE 64 8.887 5.247 -0.896 502 HB2 PHE 64 HB3 PHE 64 8.947 2.783 -0.275 503 HB3 PHE 64 HB2 PHE 64 8.227 3.236 1.270 504 HD1 PHE 64 HD1 PHE 64 7.724 3.767 -2.411 505 HD2 PHE 64 HD2 PHE 64 5.902 3.301 1.452 506 HE1 PHE 64 HE1 PHE 64 5.479 3.808 -3.464 507 HE2 PHE 64 HE2 PHE 64 3.657 3.341 0.397 508 HZ PHE 64 HZ PHE 64 3.446 3.595 -2.060 509 H ASP 65 H ASP 65 7.349 6.780 -0.464 510 HA ASP 65 HA ASP 65 7.358 8.025 2.193 511 HB2 ASP 65 HB2 ASP 65 7.263 9.393 0.116 512 HB3 ASP 65 HB3 ASP 65 5.694 8.679 -0.259 513 H PHE 66 H PHE 66 6.107 7.159 3.776 514 HA PHE 66 HA PHE 66 3.884 5.383 3.172 515 HB2 PHE 66 HB3 PHE 66 5.363 5.188 5.206 516 HB3 PHE 66 HB2 PHE 66 4.594 6.648 5.833 517 HD1 PHE 66 HD1 PHE 66 3.801 3.232 4.525 518 HD2 PHE 66 HD2 PHE 66 2.573 6.502 7.023 519 HE1 PHE 66 HE1 PHE 66 1.909 1.871 5.374 520 HE2 PHE 66 HE2 PHE 66 0.680 5.143 7.873 521 HZ PHE 66 HZ PHE 66 0.349 2.827 7.049 522 H ARG 67 H ARG 67 4.173 8.691 4.480 523 HA ARG 67 HA ARG 67 1.417 9.146 4.956 524 HB2 ARG 67 HB3 ARG 67 3.449 10.642 5.532 525 HB3 ARG 67 HB2 ARG 67 3.270 11.281 3.898 526 HG2 ARG 67 HG3 ARG 67 0.801 11.113 5.555 527 HG3 ARG 67 HG2 ARG 67 1.978 12.350 5.997 528 HD2 ARG 67 HD3 ARG 67 1.967 13.185 3.670 529 HD3 ARG 67 HD2 ARG 67 0.769 11.963 3.243 530 HE ARG 67 HE ARG 67 0.268 14.396 4.826 531 HH11 ARG 67 HH21 ARG 67 -0.738 11.274 3.765 532 HH12 ARG 67 HH22 ARG 67 -2.417 11.562 4.076 533 HH21 ARG 67 HH11 ARG 67 -1.919 14.791 5.238 534 HH22 ARG 67 HH12 ARG 67 -3.085 13.554 4.910 535 H THR 68 H THR 68 3.342 9.721 2.003 536 HA THR 68 HA THR 68 0.845 10.349 0.530 537 HB THR 68 HB THR 68 2.300 11.050 -1.280 538 HG1 THR 68 HG1 THR 68 4.083 9.990 -1.478 539 HG21 THR 68 HG21 THR 68 3.341 11.901 1.436 540 HG22 THR 68 HG22 THR 68 2.056 12.675 0.510 541 HG23 THR 68 HG23 THR 68 3.719 12.726 -0.076 542 H GLY 69 H GLY 69 2.880 7.693 1.188 543 HA2 GLY 69 HA2 GLY 69 2.871 5.495 0.367 544 HA3 GLY 69 HA3 GLY 69 1.296 5.871 -0.334 545 H LYS 70 H LYS 70 4.400 7.448 -1.039 546 HA LYS 70 HA LYS 70 4.337 6.233 -3.759 547 HB2 LYS 70 HB3 LYS 70 4.555 9.191 -3.122 548 HB3 LYS 70 HB2 LYS 70 4.883 8.495 -4.710 549 HG2 LYS 70 HG3 LYS 70 2.593 7.607 -4.814 550 HG3 LYS 70 HG2 LYS 70 2.256 8.262 -3.211 551 HD2 LYS 70 HD3 LYS 70 2.711 10.546 -4.060 552 HD3 LYS 70 HD2 LYS 70 3.000 9.879 -5.667 553 HE2 LYS 70 HE3 LYS 70 0.411 9.454 -4.157 554 HE3 LYS 70 HE2 LYS 70 0.658 10.796 -5.275 555 HZ1 LYS 70 HZ1 LYS 70 -0.172 9.261 -6.703 556 HZ2 LYS 70 HZ2 LYS 70 0.423 7.934 -5.822 557 HZ3 LYS 70 HZ3 LYS 70 1.466 8.838 -6.813 558 H MET 71 H MET 71 6.446 6.339 -4.839 559 HA MET 71 HA MET 71 8.644 6.112 -2.900 560 HB2 MET 71 HB3 MET 71 8.278 4.548 -4.888 561 HB3 MET 71 HB2 MET 71 8.828 5.876 -5.911 562 HG2 MET 71 HG3 MET 71 10.978 5.922 -4.843 563 HG3 MET 71 HG2 MET 71 10.434 4.834 -3.567 564 HE1 MET 71 HE1 MET 71 11.693 1.647 -4.631 565 HE2 MET 71 HE2 MET 71 10.763 2.592 -3.470 566 HE3 MET 71 HE3 MET 71 12.400 3.091 -3.890 567 H LEU 72 H LEU 72 9.939 7.808 -2.398 568 HA LEU 72 HA LEU 72 9.835 10.232 -4.098 569 HB2 LEU 72 HB2 LEU 72 9.574 10.412 -1.615 570 HB3 LEU 72 HB3 LEU 72 11.220 9.803 -1.433 571 HG LEU 72 HG LEU 72 10.933 12.059 -3.320 572 HD11 LEU 72 HD11 LEU 72 10.318 12.313 -0.371 573 HD12 LEU 72 HD12 LEU 72 9.386 12.930 -1.735 574 HD13 LEU 72 HD13 LEU 72 10.932 13.668 -1.319 575 HD21 LEU 72 HD21 LEU 72 12.979 12.782 -2.105 576 HD22 LEU 72 HD22 LEU 72 13.110 11.118 -2.675 577 HD23 LEU 72 HD23 LEU 72 12.764 11.443 -0.977 Start of MODEL 16 1 H1 GLY 1 H1 GLY 1 -20.426 1.161 -7.316 2 H2 GLY 1 H2 GLY 1 -18.970 0.664 -6.597 3 H3 GLY 1 H3 GLY 1 -18.948 1.465 -8.094 4 HA2 GLY 1 HA2 GLY 1 -18.606 3.416 -7.083 5 HA3 GLY 1 HA3 GLY 1 -20.201 3.144 -6.318 6 H SER 2 H SER 2 -20.485 1.216 -4.807 7 HA SER 2 HA SER 2 -20.056 2.849 -2.443 8 HB2 SER 2 HB3 SER 2 -21.120 0.065 -2.913 9 HB3 SER 2 HB2 SER 2 -20.862 0.682 -1.284 10 HG SER 2 HG SER 2 -22.746 1.368 -3.188 11 H MET 3 H MET 3 -18.648 2.360 -0.675 12 HA MET 3 HA MET 3 -16.544 1.775 0.193 13 HB2 MET 3 HB3 MET 3 -17.417 -0.812 -1.119 14 HB3 MET 3 HB2 MET 3 -15.996 -0.681 -0.083 15 HG2 MET 3 HG3 MET 3 -17.424 0.167 1.755 16 HG3 MET 3 HG2 MET 3 -18.842 -0.009 0.720 17 HE1 MET 3 HE1 MET 3 -20.051 -1.305 2.310 18 HE2 MET 3 HE2 MET 3 -18.821 -1.467 3.561 19 HE3 MET 3 HE3 MET 3 -19.652 -2.901 2.962 20 H GLU 4 H GLU 4 -14.456 0.268 -0.725 21 HA GLU 4 HA GLU 4 -12.577 0.623 -2.114 22 HB2 GLU 4 HB3 GLU 4 -13.921 -1.079 -3.343 23 HB3 GLU 4 HB2 GLU 4 -14.725 0.224 -4.219 24 HG2 GLU 4 HG2 GLU 4 -12.561 0.973 -5.120 25 HG3 GLU 4 HG3 GLU 4 -11.740 -0.312 -4.231 26 H ARG 5 H ARG 5 -12.212 2.873 -1.651 27 HA ARG 5 HA ARG 5 -13.594 4.971 -3.085 28 HB2 ARG 5 HB3 ARG 5 -12.395 5.270 -0.889 29 HB3 ARG 5 HB2 ARG 5 -10.870 5.112 -1.763 30 HG2 ARG 5 HG3 ARG 5 -11.340 7.469 -1.561 31 HG3 ARG 5 HG2 ARG 5 -11.623 7.017 -3.243 32 HD2 ARG 5 HD3 ARG 5 -13.934 6.813 -1.368 33 HD3 ARG 5 HD2 ARG 5 -13.417 8.431 -1.843 34 HE ARG 5 HE ARG 5 -13.620 6.796 -4.181 35 HH11 ARG 5 HH21 ARG 5 -15.495 8.309 -1.715 36 HH12 ARG 5 HH22 ARG 5 -16.892 8.514 -2.716 37 HH21 ARG 5 HH11 ARG 5 -15.434 7.054 -5.504 38 HH22 ARG 5 HH12 ARG 5 -16.859 7.803 -4.862 39 H LYS 6 H LYS 6 -10.271 5.528 -3.314 40 HA LYS 6 HA LYS 6 -10.333 4.858 -6.230 41 HB2 LYS 6 HB3 LYS 6 -8.733 6.734 -6.523 42 HB3 LYS 6 HB2 LYS 6 -10.258 7.280 -5.829 43 HG2 LYS 6 HG3 LYS 6 -8.822 6.619 -3.581 44 HG3 LYS 6 HG2 LYS 6 -7.564 7.251 -4.644 45 HD2 LYS 6 HD3 LYS 6 -10.175 8.680 -4.066 46 HD3 LYS 6 HD2 LYS 6 -8.657 9.019 -3.235 47 HE2 LYS 6 HE3 LYS 6 -7.593 9.620 -5.356 48 HE3 LYS 6 HE2 LYS 6 -9.066 9.211 -6.233 49 HZ1 LYS 6 HZ1 LYS 6 -9.891 11.202 -5.793 50 HZ2 LYS 6 HZ2 LYS 6 -8.408 11.644 -5.091 51 HZ3 LYS 6 HZ3 LYS 6 -9.651 11.000 -4.127 52 H ARG 7 H ARG 7 -9.134 3.029 -6.501 53 HA ARG 7 HA ARG 7 -6.537 2.858 -5.020 54 HB2 ARG 7 HB3 ARG 7 -6.783 0.414 -5.067 55 HB3 ARG 7 HB2 ARG 7 -8.179 1.149 -4.278 56 HG2 ARG 7 HG3 ARG 7 -9.428 -0.062 -5.729 57 HG3 ARG 7 HG2 ARG 7 -8.931 1.122 -6.939 58 HD2 ARG 7 HD3 ARG 7 -8.467 -1.156 -7.737 59 HD3 ARG 7 HD2 ARG 7 -6.960 -0.275 -7.484 60 HE ARG 7 HE ARG 7 -6.445 -1.755 -5.706 61 HH11 ARG 7 HH21 ARG 7 -9.732 -1.979 -6.721 62 HH12 ARG 7 HH22 ARG 7 -10.068 -3.390 -5.770 63 HH21 ARG 7 HH11 ARG 7 -6.865 -3.594 -4.460 64 HH22 ARG 7 HH12 ARG 7 -8.445 -4.302 -4.490 65 H TRP 8 H TRP 8 -4.737 2.599 -6.288 66 HA TRP 8 HA TRP 8 -5.161 1.864 -9.155 67 HB2 TRP 8 HB3 TRP 8 -3.085 3.869 -8.268 68 HB3 TRP 8 HB2 TRP 8 -3.714 3.586 -9.891 69 HD1 TRP 8 HD1 TRP 8 -6.735 3.723 -9.551 70 HE1 TRP 8 HE1 TRP 8 -7.931 5.882 -8.804 71 HE3 TRP 8 HE3 TRP 8 -2.854 6.142 -7.279 72 HZ2 TRP 8 HZ2 TRP 8 -7.322 8.313 -7.426 73 HZ3 TRP 8 HZ3 TRP 8 -3.189 8.375 -6.258 74 HH2 TRP 8 HH2 TRP 8 -5.415 9.463 -6.328 75 H GLU 9 H GLU 9 -2.848 1.370 -10.141 76 HA GLU 9 HA GLU 9 -1.739 -0.793 -8.542 77 HB2 GLU 9 HB3 GLU 9 -0.892 0.420 -11.190 78 HB3 GLU 9 HB2 GLU 9 -0.137 -1.003 -10.472 79 HG2 GLU 9 HG2 GLU 9 -2.282 -2.189 -10.499 80 HG3 GLU 9 HG3 GLU 9 -3.083 -0.758 -11.151 81 H CYS 10 H CYS 10 0.271 -0.843 -7.502 82 HA CYS 10 HA CYS 10 1.528 1.824 -7.073 83 HB2 CYS 10 HB3 CYS 10 0.703 0.170 -5.179 84 HB3 CYS 10 HB2 CYS 10 2.255 -0.609 -5.480 85 HG CYS 10 HG CYS 10 3.482 1.474 -4.680 86 HA PRO 11 HA PRO 11 4.690 0.060 -9.768 87 HB2 PRO 11 HB3 PRO 11 5.884 2.441 -10.357 88 HB3 PRO 11 HB2 PRO 11 4.392 1.889 -11.140 89 HG2 PRO 11 HG3 PRO 11 4.771 3.894 -8.990 90 HG3 PRO 11 HG2 PRO 11 3.589 3.854 -10.307 91 HD2 PRO 11 HD3 PRO 11 3.057 3.150 -7.665 92 HD3 PRO 11 HD2 PRO 11 2.078 2.652 -9.062 93 H ALA 12 H ALA 12 5.026 1.811 -6.818 94 HA ALA 12 HA ALA 12 7.917 1.858 -6.704 95 HB1 ALA 12 HB1 ALA 12 6.724 3.365 -5.264 96 HB2 ALA 12 HB2 ALA 12 7.493 2.173 -4.214 97 HB3 ALA 12 HB3 ALA 12 5.772 2.049 -4.575 98 H LEU 13 H LEU 13 5.426 -0.399 -5.547 99 HA LEU 13 HA LEU 13 7.551 -2.231 -4.577 100 HB2 LEU 13 HB2 LEU 13 4.733 -3.106 -4.436 101 HB3 LEU 13 HB3 LEU 13 5.975 -3.110 -3.185 102 HG LEU 13 HG LEU 13 4.471 -0.657 -4.146 103 HD11 LEU 13 HD11 LEU 13 2.877 -1.686 -2.837 104 HD12 LEU 13 HD12 LEU 13 3.798 -0.887 -1.564 105 HD13 LEU 13 HD13 LEU 13 4.071 -2.595 -1.910 106 HD21 LEU 13 HD21 LEU 13 5.591 0.089 -1.831 107 HD22 LEU 13 HD22 LEU 13 6.451 0.242 -3.364 108 HD23 LEU 13 HD23 LEU 13 6.777 -1.128 -2.303 109 HA PRO 14 HA PRO 14 7.340 -5.239 -7.771 110 HB2 PRO 14 HB3 PRO 14 5.854 -7.205 -6.110 111 HB3 PRO 14 HB2 PRO 14 7.443 -7.352 -6.884 112 HG2 PRO 14 HG3 PRO 14 7.239 -7.063 -4.263 113 HG3 PRO 14 HG2 PRO 14 8.527 -6.257 -5.172 114 HD2 PRO 14 HD3 PRO 14 5.979 -5.054 -4.090 115 HD3 PRO 14 HD2 PRO 14 7.613 -4.358 -4.123 116 H GLN 15 H GLN 15 6.006 -5.892 -9.494 117 HA GLN 15 HA GLN 15 3.470 -4.735 -9.821 118 HB2 GLN 15 HB3 GLN 15 4.579 -7.255 -11.098 119 HB3 GLN 15 HB2 GLN 15 3.150 -6.390 -11.668 120 HG2 GLN 15 HG2 GLN 15 5.925 -5.191 -11.427 121 HG3 GLN 15 HG3 GLN 15 5.187 -5.739 -12.930 122 HE21 GLN 15 HE21 GLN 15 3.196 -4.560 -13.656 123 HE22 GLN 15 HE22 GLN 15 2.943 -2.959 -13.151 124 H GLY 16 H GLY 16 1.479 -5.234 -9.023 125 HA2 GLY 16 HA2 GLY 16 -0.145 -7.159 -8.663 126 HA3 GLY 16 HA3 GLY 16 1.148 -7.911 -7.728 127 H TRP 17 H TRP 17 1.911 -5.168 -6.676 128 HA TRP 17 HA TRP 17 0.065 -5.207 -4.391 129 HB2 TRP 17 HB3 TRP 17 2.537 -3.571 -5.020 130 HB3 TRP 17 HB2 TRP 17 1.595 -3.378 -3.541 131 HD1 TRP 17 HD1 TRP 17 3.157 -6.354 -5.479 132 HE1 TRP 17 HE1 TRP 17 4.200 -7.963 -3.756 133 HE3 TRP 17 HE3 TRP 17 1.972 -3.908 -1.155 134 HZ2 TRP 17 HZ2 TRP 17 4.493 -8.185 -0.920 135 HZ3 TRP 17 HZ3 TRP 17 2.645 -4.840 1.040 136 HH2 TRP 17 HH2 TRP 17 3.902 -6.973 1.165 137 H GLU 18 H GLU 18 -1.322 -3.487 -3.816 138 HA GLU 18 HA GLU 18 -1.577 -1.259 -5.776 139 HB2 GLU 18 HB3 GLU 18 -3.861 -3.000 -4.794 140 HB3 GLU 18 HB2 GLU 18 -4.041 -1.546 -5.777 141 HG2 GLU 18 HG2 GLU 18 -2.694 -2.579 -7.565 142 HG3 GLU 18 HG3 GLU 18 -2.503 -4.033 -6.583 143 H ARG 19 H ARG 19 -2.648 0.624 -4.870 144 HA ARG 19 HA ARG 19 -2.888 0.554 -1.888 145 HB2 ARG 19 HB3 ARG 19 -1.782 2.642 -1.700 146 HB3 ARG 19 HB2 ARG 19 -0.804 1.735 -2.854 147 HG2 ARG 19 HG3 ARG 19 -2.953 3.753 -3.572 148 HG3 ARG 19 HG2 ARG 19 -1.214 4.030 -3.663 149 HD2 ARG 19 HD3 ARG 19 -1.211 1.886 -5.164 150 HD3 ARG 19 HD2 ARG 19 -2.931 2.233 -5.356 151 HE ARG 19 HE ARG 19 -2.349 4.089 -6.699 152 HH11 ARG 19 HH21 ARG 19 0.320 2.908 -4.865 153 HH12 ARG 19 HH22 ARG 19 1.482 3.926 -5.650 154 HH21 ARG 19 HH11 ARG 19 -0.849 5.427 -7.733 155 HH22 ARG 19 HH12 ARG 19 0.820 5.353 -7.273 156 H GLU 20 H GLU 20 -4.327 2.314 -1.052 157 HA GLU 20 HA GLU 20 -6.261 3.350 -3.052 158 HB2 GLU 20 HB3 GLU 20 -7.150 1.167 -2.259 159 HB3 GLU 20 HB2 GLU 20 -7.080 1.762 -0.601 160 HG2 GLU 20 HG2 GLU 20 -8.640 3.577 -1.169 161 HG3 GLU 20 HG3 GLU 20 -8.696 3.015 -2.840 162 H GLU 21 H GLU 21 -7.250 5.283 -2.390 163 HA GLU 21 HA GLU 21 -6.256 6.381 0.209 164 HB2 GLU 21 HB3 GLU 21 -6.993 7.777 -2.380 165 HB3 GLU 21 HB2 GLU 21 -6.636 8.625 -0.875 166 HG2 GLU 21 HG2 GLU 21 -4.395 7.645 -0.814 167 HG3 GLU 21 HG3 GLU 21 -4.745 6.704 -2.265 168 H VAL 22 H VAL 22 -7.786 6.986 1.692 169 HA VAL 22 HA VAL 22 -10.617 7.175 0.747 170 HB VAL 22 HB VAL 22 -9.889 6.128 3.476 171 HG11 VAL 22 HG21 VAL 22 -12.099 5.151 3.359 172 HG12 VAL 22 HG22 VAL 22 -12.247 5.580 1.654 173 HG13 VAL 22 HG23 VAL 22 -12.232 6.845 2.884 174 HG21 VAL 22 HG13 VAL 22 -10.180 4.512 0.924 175 HG22 VAL 22 HG11 VAL 22 -10.044 3.839 2.548 176 HG23 VAL 22 HG12 VAL 22 -8.690 4.721 1.842 177 HA PRO 23 HA PRO 23 -9.840 11.128 2.773 178 HB2 PRO 23 HB3 PRO 23 -12.002 12.398 1.707 179 HB3 PRO 23 HB2 PRO 23 -10.505 12.123 0.798 180 HG2 PRO 23 HG3 PRO 23 -13.086 10.647 0.686 181 HG3 PRO 23 HG2 PRO 23 -11.976 11.086 -0.623 182 HD2 PRO 23 HD3 PRO 23 -12.102 8.576 0.519 183 HD3 PRO 23 HD2 PRO 23 -10.643 9.207 -0.277 184 H ARG 24 H ARG 24 -10.675 12.017 4.672 185 HA ARG 24 HA ARG 24 -13.059 10.660 5.815 186 HB2 ARG 24 HB3 ARG 24 -10.944 12.431 7.077 187 HB3 ARG 24 HB2 ARG 24 -12.308 11.731 7.951 188 HG2 ARG 24 HG3 ARG 24 -11.550 9.471 7.375 189 HG3 ARG 24 HG2 ARG 24 -10.214 10.141 6.439 190 HD2 ARG 24 HD3 ARG 24 -9.401 9.483 8.646 191 HD3 ARG 24 HD2 ARG 24 -9.363 11.242 8.509 192 HE ARG 24 HE ARG 24 -11.132 11.370 10.103 193 HH11 ARG 24 HH21 ARG 24 -10.443 8.158 9.056 194 HH12 ARG 24 HH22 ARG 24 -11.397 7.408 10.292 195 HH21 ARG 24 HH11 ARG 24 -12.382 10.408 11.723 196 HH22 ARG 24 HH12 ARG 24 -12.494 8.682 11.803 197 H ARG 25 H ARG 25 -14.449 12.214 7.239 198 HA ARG 25 HA ARG 25 -14.620 14.993 6.541 199 HB2 ARG 25 HB3 ARG 25 -15.318 13.950 4.358 200 HB3 ARG 25 HB2 ARG 25 -16.686 13.224 5.202 201 HG2 ARG 25 HG3 ARG 25 -17.545 15.414 5.806 202 HG3 ARG 25 HG2 ARG 25 -16.117 16.200 5.132 203 HD2 ARG 25 HD3 ARG 25 -17.953 16.346 3.526 204 HD3 ARG 25 HD2 ARG 25 -16.705 15.272 2.894 205 HE ARG 25 HE ARG 25 -18.706 13.789 4.363 206 HH11 ARG 25 HH21 ARG 25 -17.983 15.413 1.409 207 HH12 ARG 25 HH22 ARG 25 -19.064 14.449 0.460 208 HH21 ARG 25 HH11 ARG 25 -20.121 12.520 3.140 209 HH22 ARG 25 HH12 ARG 25 -20.274 12.811 1.440 210 H SER 26 H SER 26 -14.699 14.199 8.996 211 HA SER 26 HA SER 26 -17.098 15.056 10.129 212 HB2 SER 26 HB3 SER 26 -17.127 12.171 9.369 213 HB3 SER 26 HB2 SER 26 -17.817 12.604 10.932 214 HG SER 26 HG SER 26 -19.241 13.955 9.912 215 H GLY 27 H GLY 27 -15.170 15.836 11.346 216 HA2 GLY 27 HA2 GLY 27 -14.851 15.164 13.894 217 HA3 GLY 27 HA3 GLY 27 -13.961 13.825 13.167 218 H LEU 28 H LEU 28 -12.387 15.235 14.720 219 HA LEU 28 HA LEU 28 -11.256 17.643 13.707 220 HB2 LEU 28 HB2 LEU 28 -10.238 15.453 15.505 221 HB3 LEU 28 HB3 LEU 28 -9.165 16.758 14.998 222 HG LEU 28 HG LEU 28 -10.375 17.174 17.186 223 HD11 LEU 28 HD11 LEU 28 -11.330 19.244 15.261 224 HD12 LEU 28 HD12 LEU 28 -9.599 18.911 15.298 225 HD13 LEU 28 HD13 LEU 28 -10.427 19.438 16.764 226 HD21 LEU 28 HD21 LEU 28 -12.530 16.116 16.229 227 HD22 LEU 28 HD22 LEU 28 -12.785 17.669 15.431 228 HD23 LEU 28 HD23 LEU 28 -12.713 17.583 17.192 229 H SER 29 H SER 29 -10.461 14.235 13.076 230 HA SER 29 HA SER 29 -8.189 14.826 11.391 231 HB2 SER 29 HB3 SER 29 -8.397 12.463 10.686 232 HB3 SER 29 HB2 SER 29 -8.486 12.619 12.438 233 HG SER 29 HG SER 29 -10.136 11.269 11.421 234 H ALA 30 H ALA 30 -10.704 16.294 10.777 235 HA ALA 30 HA ALA 30 -11.861 15.254 8.360 236 HB1 ALA 30 HB1 ALA 30 -13.079 16.956 9.515 237 HB2 ALA 30 HB2 ALA 30 -12.531 17.698 8.012 238 HB3 ALA 30 HB3 ALA 30 -11.690 18.042 9.523 239 H GLY 31 H GLY 31 -11.351 15.739 6.185 240 HA2 GLY 31 HA2 GLY 31 -10.039 16.535 4.385 241 HA3 GLY 31 HA3 GLY 31 -9.120 17.509 5.533 242 H HIS 32 H HIS 32 -8.912 14.801 7.111 243 HA HIS 32 HA HIS 32 -6.341 14.056 5.884 244 HB2 HIS 32 HB2 HIS 32 -7.755 13.040 8.370 245 HB3 HIS 32 HB3 HIS 32 -6.131 12.569 7.874 246 HD1 HIS 32 HD1 HIS 32 -8.101 15.597 9.016 247 HD2 HIS 32 HD2 HIS 32 -4.129 14.446 8.473 248 HE1 HIS 32 HE1 HIS 32 -6.677 17.437 10.021 249 HE2 HIS 32 HE2 HIS 32 -4.258 16.746 9.696 250 H ARG 33 H ARG 33 -6.057 12.284 4.599 251 HA ARG 33 HA ARG 33 -8.377 10.417 4.327 252 HB2 ARG 33 HB3 ARG 33 -7.707 10.049 2.046 253 HB3 ARG 33 HB2 ARG 33 -7.709 11.795 2.303 254 HG2 ARG 33 HG3 ARG 33 -5.243 11.644 2.806 255 HG3 ARG 33 HG2 ARG 33 -5.303 9.953 2.310 256 HD2 ARG 33 HD3 ARG 33 -6.206 10.677 0.096 257 HD3 ARG 33 HD2 ARG 33 -5.996 12.355 0.597 258 HE ARG 33 HE ARG 33 -3.836 10.479 -0.111 259 HH11 ARG 33 HH21 ARG 33 -4.863 13.446 1.314 260 HH12 ARG 33 HH22 ARG 33 -3.309 14.200 1.181 261 HH21 ARG 33 HH11 ARG 33 -1.802 11.447 -0.294 262 HH22 ARG 33 HH12 ARG 33 -1.576 13.070 0.271 263 H ASP 34 H ASP 34 -8.018 8.283 4.790 264 HA ASP 34 HA ASP 34 -5.328 7.508 5.716 265 HB2 ASP 34 HB2 ASP 34 -8.001 6.079 5.714 266 HB3 ASP 34 HB3 ASP 34 -6.510 5.353 6.316 267 H VAL 35 H VAL 35 -4.031 5.970 4.692 268 HA VAL 35 HA VAL 35 -4.953 5.137 1.970 269 HB VAL 35 HB VAL 35 -2.121 5.497 3.000 270 HG11 VAL 35 HG21 VAL 35 -2.364 3.774 1.233 271 HG12 VAL 35 HG22 VAL 35 -1.491 5.189 0.644 272 HG13 VAL 35 HG23 VAL 35 -3.184 4.954 0.211 273 HG21 VAL 35 HG13 VAL 35 -2.288 7.361 1.144 274 HG22 VAL 35 HG11 VAL 35 -2.910 7.685 2.762 275 HG23 VAL 35 HG12 VAL 35 -4.019 7.249 1.463 276 H PHE 36 H PHE 36 -5.266 2.980 1.711 277 HA PHE 36 HA PHE 36 -3.970 1.143 3.683 278 HB2 PHE 36 HB3 PHE 36 -6.565 0.904 2.139 279 HB3 PHE 36 HB2 PHE 36 -5.843 -0.438 3.026 280 HD1 PHE 36 HD2 PHE 36 -7.372 2.914 3.332 281 HD2 PHE 36 HD1 PHE 36 -5.827 -0.491 5.446 282 HE1 PHE 36 HE2 PHE 36 -8.367 3.770 5.438 283 HE2 PHE 36 HE1 PHE 36 -6.822 0.364 7.550 284 HZ PHE 36 HZ PHE 36 -8.092 2.493 7.547 285 H TYR 37 H TYR 37 -2.881 -0.681 2.880 286 HA TYR 37 HA TYR 37 -2.446 -0.675 -0.079 287 HB2 TYR 37 HB3 TYR 37 -0.634 -1.386 2.232 288 HB3 TYR 37 HB2 TYR 37 -0.287 -1.914 0.586 289 HD1 TYR 37 HD1 TYR 37 -0.913 1.098 2.689 290 HD2 TYR 37 HD2 TYR 37 0.636 -0.425 -1.016 291 HE1 TYR 37 HE1 TYR 37 0.044 3.326 2.173 292 HE2 TYR 37 HE2 TYR 37 1.593 1.805 -1.532 293 HH TYR 37 HH TYR 37 1.385 4.477 0.801 294 H TYR 38 H TYR 38 -2.450 -2.704 -1.159 295 HA TYR 38 HA TYR 38 -3.445 -5.004 0.472 296 HB2 TYR 38 HB3 TYR 38 -4.327 -4.468 -2.368 297 HB3 TYR 38 HB2 TYR 38 -5.058 -5.551 -1.182 298 HD1 TYR 38 HD1 TYR 38 -4.276 -1.936 -1.766 299 HD2 TYR 38 HD2 TYR 38 -6.827 -4.802 0.163 300 HE1 TYR 38 HE1 TYR 38 -5.754 -0.100 -0.995 301 HE2 TYR 38 HE2 TYR 38 -8.306 -2.966 0.935 302 HH TYR 38 HH TYR 38 -7.421 0.407 0.508 303 H SER 39 H SER 39 -2.525 -6.990 -0.038 304 HA SER 39 HA SER 39 -0.252 -6.898 -1.946 305 HB2 SER 39 HB3 SER 39 0.767 -8.322 -0.518 306 HB3 SER 39 HB2 SER 39 -0.575 -8.036 0.587 307 HG SER 39 HG SER 39 -0.301 -10.260 0.125 308 HA PRO 40 HA PRO 40 -1.822 -9.565 -5.074 309 HB2 PRO 40 HB3 PRO 40 -0.153 -11.849 -4.127 310 HB3 PRO 40 HB2 PRO 40 -0.238 -11.104 -5.733 311 HG2 PRO 40 HG3 PRO 40 1.834 -10.671 -4.145 312 HG3 PRO 40 HG2 PRO 40 1.169 -9.376 -5.156 313 HD2 PRO 40 HD3 PRO 40 0.852 -9.787 -2.196 314 HD3 PRO 40 HD2 PRO 40 0.982 -8.266 -3.104 315 H SER 41 H SER 41 -1.695 -11.038 -1.866 316 HA SER 41 HA SER 41 -3.787 -12.996 -2.565 317 HB2 SER 41 HB3 SER 41 -1.873 -13.493 -0.968 318 HB3 SER 41 HB2 SER 41 -2.640 -12.391 0.172 319 HG SER 41 HG SER 41 -3.169 -14.771 0.213 320 H GLY 42 H GLY 42 -3.746 -9.764 -1.791 321 HA2 GLY 42 HA2 GLY 42 -5.674 -8.397 -1.462 322 HA3 GLY 42 HA3 GLY 42 -6.596 -9.840 -1.040 323 H LYS 43 H LYS 43 -3.509 -9.385 0.469 324 HA LYS 43 HA LYS 43 -4.733 -9.358 3.101 325 HB2 LYS 43 HB3 LYS 43 -2.550 -10.433 2.707 326 HB3 LYS 43 HB2 LYS 43 -1.856 -8.871 2.269 327 HG2 LYS 43 HG3 LYS 43 -2.412 -8.009 4.528 328 HG3 LYS 43 HG2 LYS 43 -3.042 -9.598 4.963 329 HD2 LYS 43 HD3 LYS 43 -0.895 -10.614 4.778 330 HD3 LYS 43 HD2 LYS 43 -0.220 -9.208 3.954 331 HE2 LYS 43 HE3 LYS 43 0.525 -9.177 6.267 332 HE3 LYS 43 HE2 LYS 43 -0.626 -7.863 6.028 333 HZ1 LYS 43 HZ1 LYS 43 -2.238 -8.929 7.219 334 HZ2 LYS 43 HZ2 LYS 43 -0.857 -9.482 8.040 335 HZ3 LYS 43 HZ3 LYS 43 -1.626 -10.479 6.899 336 H LYS 44 H LYS 44 -5.469 -7.573 4.142 337 HA LYS 44 HA LYS 44 -4.766 -4.904 3.082 338 HB2 LYS 44 HB3 LYS 44 -6.718 -5.778 5.235 339 HB3 LYS 44 HB2 LYS 44 -6.502 -4.112 4.696 340 HG2 LYS 44 HG3 LYS 44 -7.121 -4.774 2.398 341 HG3 LYS 44 HG2 LYS 44 -7.351 -6.437 2.942 342 HD2 LYS 44 HD3 LYS 44 -9.104 -5.678 4.512 343 HD3 LYS 44 HD2 LYS 44 -8.889 -4.022 3.944 344 HE2 LYS 44 HE3 LYS 44 -9.516 -4.721 1.661 345 HE3 LYS 44 HE2 LYS 44 -9.738 -6.376 2.230 346 HZ1 LYS 44 HZ1 LYS 44 -11.696 -4.582 2.128 347 HZ2 LYS 44 HZ2 LYS 44 -11.153 -4.324 3.717 348 HZ3 LYS 44 HZ3 LYS 44 -11.670 -5.868 3.232 349 H PHE 45 H PHE 45 -3.099 -3.787 3.958 350 HA PHE 45 HA PHE 45 -2.567 -4.075 6.871 351 HB2 PHE 45 HB3 PHE 45 -0.072 -4.079 6.274 352 HB3 PHE 45 HB2 PHE 45 -0.951 -5.578 5.974 353 HD1 PHE 45 HD2 PHE 45 -1.761 -6.097 3.642 354 HD2 PHE 45 HD1 PHE 45 0.906 -2.835 4.488 355 HE1 PHE 45 HE2 PHE 45 -1.143 -5.979 1.242 356 HE2 PHE 45 HE1 PHE 45 1.523 -2.718 2.089 357 HZ PHE 45 HZ PHE 45 0.499 -4.291 0.466 358 H ARG 46 H ARG 46 -1.650 -2.185 7.800 359 HA ARG 46 HA ARG 46 -1.100 0.093 5.972 360 HB2 ARG 46 HB3 ARG 46 -3.497 0.235 6.663 361 HB3 ARG 46 HB2 ARG 46 -2.979 0.276 8.349 362 HG2 ARG 46 HG3 ARG 46 -1.692 2.327 7.920 363 HG3 ARG 46 HG2 ARG 46 -2.172 2.284 6.224 364 HD2 ARG 46 HD3 ARG 46 -4.566 2.407 6.951 365 HD3 ARG 46 HD2 ARG 46 -4.010 2.608 8.613 366 HE ARG 46 HE ARG 46 -2.798 4.554 6.839 367 HH11 ARG 46 HH21 ARG 46 -5.622 3.680 8.611 368 HH12 ARG 46 HH22 ARG 46 -6.171 5.313 8.800 369 HH21 ARG 46 HH11 ARG 46 -3.498 6.691 7.075 370 HH22 ARG 46 HH12 ARG 46 -4.968 7.017 7.930 371 H SER 47 H SER 47 1.077 -0.743 6.855 372 HA SER 47 HA SER 47 1.863 1.016 9.061 373 HB2 SER 47 HB3 SER 47 2.347 -0.553 10.673 374 HB3 SER 47 HB2 SER 47 1.015 -1.400 9.890 375 HG SER 47 HG SER 47 3.245 -2.444 10.221 376 H LYS 48 H LYS 48 4.085 1.472 8.976 377 HA LYS 48 HA LYS 48 5.431 0.953 6.495 378 HB2 LYS 48 HB3 LYS 48 5.771 2.800 8.424 379 HB3 LYS 48 HB2 LYS 48 7.045 1.674 8.892 380 HG2 LYS 48 HG3 LYS 48 8.186 3.012 7.371 381 HG3 LYS 48 HG2 LYS 48 7.610 1.724 6.311 382 HD2 LYS 48 HD3 LYS 48 5.593 3.132 5.801 383 HD3 LYS 48 HD2 LYS 48 6.330 4.439 6.728 384 HE2 LYS 48 HE3 LYS 48 8.401 3.987 5.163 385 HE3 LYS 48 HE2 LYS 48 7.188 3.266 4.104 386 HZ1 LYS 48 HZ1 LYS 48 6.872 5.967 5.275 387 HZ2 LYS 48 HZ2 LYS 48 6.010 5.274 3.985 388 HZ3 LYS 48 HZ3 LYS 48 7.640 5.708 3.784 389 HA PRO 49 HA PRO 49 7.976 -2.106 9.421 390 HB2 PRO 49 HB3 PRO 49 5.632 -3.034 11.009 391 HB3 PRO 49 HB2 PRO 49 7.304 -2.746 11.527 392 HG2 PRO 49 HG3 PRO 49 5.371 -1.065 12.191 393 HG3 PRO 49 HG2 PRO 49 6.985 -0.477 11.759 394 HD2 PRO 49 HD3 PRO 49 4.472 -0.458 10.098 395 HD3 PRO 49 HD2 PRO 49 5.753 0.769 10.190 396 H GLN 50 H GLN 50 4.553 -2.767 8.658 397 HA GLN 50 HA GLN 50 4.970 -5.537 7.980 398 HB2 GLN 50 HB3 GLN 50 2.737 -4.598 8.515 399 HB3 GLN 50 HB2 GLN 50 2.799 -3.638 7.036 400 HG2 GLN 50 HG2 GLN 50 1.510 -5.689 6.650 401 HG3 GLN 50 HG3 GLN 50 3.002 -5.727 5.710 402 HE21 GLN 50 HE21 GLN 50 1.561 -6.936 8.768 403 HE22 GLN 50 HE22 GLN 50 2.573 -8.293 8.888 404 H LEU 51 H LEU 51 4.996 -2.530 6.094 405 HA LEU 51 HA LEU 51 5.175 -3.732 3.511 406 HB2 LEU 51 HB2 LEU 51 5.835 -1.065 4.678 407 HB3 LEU 51 HB3 LEU 51 6.537 -1.460 3.109 408 HG LEU 51 HG LEU 51 4.286 -0.313 2.987 409 HD11 LEU 51 HD11 LEU 51 3.781 -1.458 1.061 410 HD12 LEU 51 HD12 LEU 51 3.874 -3.033 1.851 411 HD13 LEU 51 HD13 LEU 51 5.352 -2.194 1.379 412 HD21 LEU 51 HD21 LEU 51 3.546 -1.865 5.030 413 HD22 LEU 51 HD22 LEU 51 3.033 -2.928 3.719 414 HD23 LEU 51 HD23 LEU 51 2.373 -1.297 3.841 415 H ALA 52 H ALA 52 7.727 -2.676 5.775 416 HA ALA 52 HA ALA 52 9.872 -3.575 4.039 417 HB1 ALA 52 HB1 ALA 52 10.080 -3.167 7.026 418 HB2 ALA 52 HB2 ALA 52 10.006 -1.807 5.905 419 HB3 ALA 52 HB3 ALA 52 11.337 -2.959 5.807 420 H ARG 53 H ARG 53 8.253 -4.916 6.915 421 HA ARG 53 HA ARG 53 9.879 -7.225 7.217 422 HB2 ARG 53 HB3 ARG 53 8.168 -6.501 8.869 423 HB3 ARG 53 HB2 ARG 53 6.900 -6.973 7.737 424 HG2 ARG 53 HG3 ARG 53 7.736 -9.294 7.759 425 HG3 ARG 53 HG2 ARG 53 9.002 -8.827 8.895 426 HD2 ARG 53 HD3 ARG 53 7.288 -8.149 10.534 427 HD3 ARG 53 HD2 ARG 53 6.018 -8.610 9.400 428 HE ARG 53 HE ARG 53 7.854 -10.798 9.928 429 HH11 ARG 53 HH21 ARG 53 5.140 -8.997 11.058 430 HH12 ARG 53 HH22 ARG 53 4.491 -10.304 11.990 431 HH21 ARG 53 HH11 ARG 53 7.022 -12.517 11.138 432 HH22 ARG 53 HH12 ARG 53 5.557 -12.297 12.035 433 H TYR 54 H TYR 54 6.893 -6.768 5.305 434 HA TYR 54 HA TYR 54 6.907 -9.458 4.256 435 HB2 TYR 54 HB3 TYR 54 4.950 -7.755 4.345 436 HB3 TYR 54 HB2 TYR 54 5.645 -7.100 2.862 437 HD1 TYR 54 HD2 TYR 54 5.880 -8.552 0.840 438 HD2 TYR 54 HD1 TYR 54 3.795 -9.858 4.362 439 HE1 TYR 54 HE2 TYR 54 4.813 -10.371 -0.467 440 HE2 TYR 54 HE1 TYR 54 2.727 -11.676 3.056 441 HH TYR 54 HH TYR 54 2.219 -11.870 0.253 442 H LEU 55 H LEU 55 7.778 -6.317 2.764 443 HA LEU 55 HA LEU 55 8.962 -7.673 0.456 444 HB2 LEU 55 HB2 LEU 55 9.002 -4.764 1.316 445 HB3 LEU 55 HB3 LEU 55 9.613 -5.365 -0.225 446 HG LEU 55 HG LEU 55 6.763 -5.735 0.745 447 HD11 LEU 55 HD11 LEU 55 6.124 -3.913 -0.591 448 HD12 LEU 55 HD12 LEU 55 7.630 -3.935 -1.509 449 HD13 LEU 55 HD13 LEU 55 7.617 -3.340 0.151 450 HD21 LEU 55 HD21 LEU 55 8.331 -6.561 -1.667 451 HD22 LEU 55 HD22 LEU 55 6.642 -6.108 -1.894 452 HD23 LEU 55 HD23 LEU 55 7.062 -7.430 -0.804 453 H GLY 56 H GLY 56 9.984 -7.316 3.564 454 HA2 GLY 56 HA2 GLY 56 12.642 -6.359 3.386 455 HA3 GLY 56 HA3 GLY 56 12.093 -7.545 4.570 456 H GLY 57 H GLY 57 13.562 -7.129 1.408 457 HA2 GLY 57 HA2 GLY 57 15.394 -8.945 1.120 458 HA3 GLY 57 HA3 GLY 57 14.047 -10.073 1.281 459 H SER 58 H SER 58 12.765 -7.453 -0.224 460 HA SER 58 HA SER 58 13.194 -8.693 -2.905 461 HB2 SER 58 HB3 SER 58 10.845 -8.537 -2.070 462 HB3 SER 58 HB2 SER 58 11.016 -6.785 -1.997 463 HG SER 58 HG SER 58 10.561 -6.780 -4.039 464 H MET 59 H MET 59 13.448 -5.689 -1.092 465 HA MET 59 HA MET 59 15.393 -4.579 -2.857 466 HB2 MET 59 HB3 MET 59 14.232 -3.198 -4.280 467 HB3 MET 59 HB2 MET 59 13.001 -4.448 -4.091 468 HG2 MET 59 HG3 MET 59 12.145 -3.098 -2.092 469 HG3 MET 59 HG2 MET 59 13.184 -1.791 -2.661 470 HE1 MET 59 HE1 MET 59 10.789 -4.417 -3.480 471 HE2 MET 59 HE2 MET 59 9.756 -3.857 -4.794 472 HE3 MET 59 HE3 MET 59 9.482 -3.267 -3.156 473 H ASP 60 H ASP 60 15.539 -2.057 -2.383 474 HA ASP 60 HA ASP 60 15.421 -1.798 0.546 475 HB2 ASP 60 HB2 ASP 60 16.562 -0.081 -1.667 476 HB3 ASP 60 HB3 ASP 60 16.521 0.456 0.013 477 H LEU 61 H LEU 61 13.376 -1.321 1.272 478 HA LEU 61 HA LEU 61 11.642 0.495 -0.263 479 HB2 LEU 61 HB2 LEU 61 11.189 -1.611 1.519 480 HB3 LEU 61 HB3 LEU 61 10.715 -0.169 2.420 481 HG LEU 61 HG LEU 61 9.463 0.507 0.243 482 HD11 LEU 61 HD11 LEU 61 9.804 -2.481 -0.161 483 HD12 LEU 61 HD12 LEU 61 10.463 -1.215 -1.196 484 HD13 LEU 61 HD13 LEU 61 8.717 -1.448 -1.091 485 HD21 LEU 61 HD21 LEU 61 7.520 -1.006 0.921 486 HD22 LEU 61 HD22 LEU 61 8.221 -0.039 2.220 487 HD23 LEU 61 HD23 LEU 61 8.623 -1.749 2.079 488 H SER 62 H SER 62 14.168 0.949 1.815 489 HA SER 62 HA SER 62 13.308 2.838 3.716 490 HB2 SER 62 HB3 SER 62 15.621 1.958 3.601 491 HB3 SER 62 HB2 SER 62 15.891 2.875 2.122 492 HG SER 62 HG SER 62 14.874 4.486 4.000 493 H THR 63 H THR 63 14.025 3.274 0.270 494 HA THR 63 HA THR 63 13.348 6.155 0.486 495 HB THR 63 HB THR 63 14.155 6.337 -1.788 496 HG1 THR 63 HG1 THR 63 13.513 4.610 -2.863 497 HG21 THR 63 HG21 THR 63 15.864 4.488 -0.105 498 HG22 THR 63 HG22 THR 63 15.914 6.251 -0.125 499 HG23 THR 63 HG23 THR 63 16.444 5.337 -1.538 500 H PHE 64 H PHE 64 11.181 4.508 1.054 501 HA PHE 64 HA PHE 64 9.528 4.769 -1.429 502 HB2 PHE 64 HB3 PHE 64 9.705 2.428 -0.935 503 HB3 PHE 64 HB2 PHE 64 9.412 2.705 0.783 504 HD1 PHE 64 HD2 PHE 64 7.759 3.668 -2.454 505 HD2 PHE 64 HD1 PHE 64 7.297 2.089 1.512 506 HE1 PHE 64 HE2 PHE 64 5.319 3.439 -2.831 507 HE2 PHE 64 HE1 PHE 64 4.855 1.857 1.136 508 HZ PHE 64 HZ PHE 64 3.867 2.531 -1.036 509 H ASP 65 H ASP 65 7.804 6.127 -1.235 510 HA ASP 65 HA ASP 65 7.275 7.330 1.411 511 HB2 ASP 65 HB2 ASP 65 7.490 8.721 -0.684 512 HB3 ASP 65 HB3 ASP 65 5.991 7.988 -1.254 513 H PHE 66 H PHE 66 5.882 6.181 2.677 514 HA PHE 66 HA PHE 66 3.852 4.430 1.530 515 HB2 PHE 66 HB3 PHE 66 4.948 3.883 3.672 516 HB3 PHE 66 HB2 PHE 66 4.277 5.348 4.391 517 HD1 PHE 66 HD1 PHE 66 3.472 2.007 3.029 518 HD2 PHE 66 HD2 PHE 66 1.938 5.506 4.991 519 HE1 PHE 66 HE1 PHE 66 1.375 0.792 3.555 520 HE2 PHE 66 HE2 PHE 66 -0.160 4.291 5.517 521 HZ PHE 66 HZ PHE 66 -0.441 1.934 4.799 522 H ARG 67 H ARG 67 3.874 7.601 3.141 523 HA ARG 67 HA ARG 67 1.049 7.934 3.313 524 HB2 ARG 67 HB3 ARG 67 3.142 10.086 2.869 525 HB3 ARG 67 HB2 ARG 67 1.524 10.322 3.529 526 HG2 ARG 67 HG3 ARG 67 3.509 8.440 4.809 527 HG3 ARG 67 HG2 ARG 67 3.436 10.152 5.231 528 HD2 ARG 67 HD3 ARG 67 0.958 9.820 5.680 529 HD3 ARG 67 HD2 ARG 67 1.245 8.086 5.528 530 HE ARG 67 HE ARG 67 2.921 9.558 7.476 531 HH11 ARG 67 HH21 ARG 67 0.275 7.474 6.738 532 HH12 ARG 67 HH22 ARG 67 0.154 6.838 8.345 533 HH21 ARG 67 HH11 ARG 67 2.778 8.739 9.579 534 HH22 ARG 67 HH12 ARG 67 1.571 7.554 9.954 535 H THR 68 H THR 68 3.342 8.637 0.694 536 HA THR 68 HA THR 68 1.067 9.506 -1.017 537 HB THR 68 HB THR 68 2.737 10.405 -2.517 538 HG1 THR 68 HG1 THR 68 4.217 8.493 -1.465 539 HG21 THR 68 HG21 THR 68 4.039 11.872 -0.919 540 HG22 THR 68 HG22 THR 68 3.367 10.911 0.399 541 HG23 THR 68 HG23 THR 68 2.297 11.847 -0.644 542 H GLY 69 H GLY 69 3.082 6.809 -0.397 543 HA2 GLY 69 HA2 GLY 69 3.175 4.697 -1.419 544 HA3 GLY 69 HA3 GLY 69 1.715 5.156 -2.297 545 H LYS 70 H LYS 70 4.919 6.707 -2.362 546 HA LYS 70 HA LYS 70 5.195 5.847 -5.205 547 HB2 LYS 70 HB3 LYS 70 4.258 8.250 -4.863 548 HB3 LYS 70 HB2 LYS 70 5.898 8.649 -4.349 549 HG2 LYS 70 HG3 LYS 70 6.050 9.070 -6.629 550 HG3 LYS 70 HG2 LYS 70 6.569 7.385 -6.570 551 HD2 LYS 70 HD3 LYS 70 4.963 7.304 -8.258 552 HD3 LYS 70 HD2 LYS 70 3.997 6.889 -6.841 553 HE2 LYS 70 HE3 LYS 70 3.238 9.197 -6.629 554 HE3 LYS 70 HE2 LYS 70 4.284 9.692 -7.960 555 HZ1 LYS 70 HZ1 LYS 70 2.623 9.209 -9.320 556 HZ2 LYS 70 HZ2 LYS 70 1.691 8.559 -8.058 557 HZ3 LYS 70 HZ3 LYS 70 2.785 7.573 -8.903 558 H MET 71 H MET 71 7.341 5.492 -5.839 559 HA MET 71 HA MET 71 9.272 5.252 -3.634 560 HB2 MET 71 HB3 MET 71 9.020 3.474 -5.379 561 HB3 MET 71 HB2 MET 71 9.629 4.616 -6.578 562 HG2 MET 71 HG3 MET 71 11.497 3.273 -5.845 563 HG3 MET 71 HG2 MET 71 11.694 4.882 -5.146 564 HE1 MET 71 HE1 MET 71 10.489 1.440 -4.910 565 HE2 MET 71 HE2 MET 71 10.566 0.941 -3.222 566 HE3 MET 71 HE3 MET 71 12.055 1.165 -4.136 567 H LEU 72 H LEU 72 10.917 6.678 -3.256 568 HA LEU 72 HA LEU 72 11.858 8.459 -5.408 569 HB2 LEU 72 HB2 LEU 72 9.819 9.506 -4.156 570 HB3 LEU 72 HB3 LEU 72 10.965 9.748 -2.837 571 HG LEU 72 HG LEU 72 11.458 10.681 -5.677 572 HD11 LEU 72 HD11 LEU 72 9.490 11.791 -4.511 573 HD12 LEU 72 HD12 LEU 72 10.796 12.881 -4.978 574 HD13 LEU 72 HD13 LEU 72 10.634 12.367 -3.299 575 HD21 LEU 72 HD21 LEU 72 13.547 10.561 -4.646 576 HD22 LEU 72 HD22 LEU 72 12.889 10.896 -3.044 577 HD23 LEU 72 HD23 LEU 72 13.054 12.200 -4.219 Start of MODEL 17 1 H1 GLY 1 H1 GLY 1 -13.218 3.360 -10.424 2 H2 GLY 1 H2 GLY 1 -14.316 2.271 -11.126 3 H3 GLY 1 H3 GLY 1 -13.678 1.958 -9.583 4 HA2 GLY 1 HA2 GLY 1 -16.098 3.284 -10.276 5 HA3 GLY 1 HA3 GLY 1 -15.305 3.192 -8.674 6 H SER 2 H SER 2 -13.150 4.246 -8.287 7 HA SER 2 HA SER 2 -12.513 6.264 -7.272 8 HB2 SER 2 HB3 SER 2 -12.675 8.068 -8.649 9 HB3 SER 2 HB2 SER 2 -13.373 6.922 -9.792 10 HG SER 2 HG SER 2 -15.428 7.483 -8.965 11 H MET 3 H MET 3 -15.330 4.810 -6.797 12 HA MET 3 HA MET 3 -16.977 6.853 -5.601 13 HB2 MET 3 HB3 MET 3 -17.754 4.554 -6.323 14 HB3 MET 3 HB2 MET 3 -16.935 3.905 -4.901 15 HG2 MET 3 HG3 MET 3 -18.301 5.378 -3.453 16 HG3 MET 3 HG2 MET 3 -19.138 5.989 -4.880 17 HE1 MET 3 HE1 MET 3 -21.936 4.031 -3.397 18 HE2 MET 3 HE2 MET 3 -20.997 5.522 -3.366 19 HE3 MET 3 HE3 MET 3 -20.641 4.241 -2.211 20 H GLU 4 H GLU 4 -15.936 8.084 -4.047 21 HA GLU 4 HA GLU 4 -14.663 8.558 -2.112 22 HB2 GLU 4 HB3 GLU 4 -16.451 6.280 -1.205 23 HB3 GLU 4 HB2 GLU 4 -15.561 7.345 -0.116 24 HG2 GLU 4 HG2 GLU 4 -17.546 8.333 -2.181 25 HG3 GLU 4 HG3 GLU 4 -17.956 8.036 -0.492 26 H ARG 5 H ARG 5 -13.512 6.505 -3.973 27 HA ARG 5 HA ARG 5 -11.521 5.439 -2.078 28 HB2 ARG 5 HB3 ARG 5 -13.276 3.671 -2.219 29 HB3 ARG 5 HB2 ARG 5 -13.031 3.605 -3.965 30 HG2 ARG 5 HG3 ARG 5 -10.664 2.998 -3.611 31 HG3 ARG 5 HG2 ARG 5 -10.911 3.057 -1.866 32 HD2 ARG 5 HD3 ARG 5 -11.071 0.742 -2.602 33 HD3 ARG 5 HD2 ARG 5 -12.669 1.295 -2.102 34 HE ARG 5 HE ARG 5 -12.289 1.719 -4.928 35 HH11 ARG 5 HH21 ARG 5 -12.877 -0.649 -2.494 36 HH12 ARG 5 HH22 ARG 5 -13.728 -1.723 -3.555 37 HH21 ARG 5 HH11 ARG 5 -13.397 0.332 -6.329 38 HH22 ARG 5 HH12 ARG 5 -14.023 -1.166 -5.726 39 H LYS 6 H LYS 6 -9.839 6.521 -3.076 40 HA LYS 6 HA LYS 6 -9.618 6.735 -5.964 41 HB2 LYS 6 HB3 LYS 6 -7.655 7.275 -3.718 42 HB3 LYS 6 HB2 LYS 6 -7.306 7.596 -5.418 43 HG2 LYS 6 HG3 LYS 6 -8.797 9.354 -5.538 44 HG3 LYS 6 HG2 LYS 6 -9.854 8.680 -4.296 45 HD2 LYS 6 HD3 LYS 6 -8.289 9.296 -2.548 46 HD3 LYS 6 HD2 LYS 6 -7.098 9.815 -3.741 47 HE2 LYS 6 HE3 LYS 6 -8.669 11.560 -4.533 48 HE3 LYS 6 HE2 LYS 6 -9.829 11.059 -3.302 49 HZ1 LYS 6 HZ1 LYS 6 -7.493 11.415 -1.935 50 HZ2 LYS 6 HZ2 LYS 6 -8.808 12.490 -1.970 51 HZ3 LYS 6 HZ3 LYS 6 -7.506 12.700 -3.043 52 H ARG 7 H ARG 7 -7.692 5.836 -7.152 53 HA ARG 7 HA ARG 7 -6.685 3.280 -6.021 54 HB2 ARG 7 HB3 ARG 7 -8.460 3.606 -8.407 55 HB3 ARG 7 HB2 ARG 7 -7.182 2.393 -8.486 56 HG2 ARG 7 HG3 ARG 7 -8.919 2.512 -6.043 57 HG3 ARG 7 HG2 ARG 7 -9.553 1.757 -7.508 58 HD2 ARG 7 HD3 ARG 7 -7.512 0.315 -7.593 59 HD3 ARG 7 HD2 ARG 7 -7.000 1.007 -6.054 60 HE ARG 7 HE ARG 7 -9.686 -0.085 -5.912 61 HH11 ARG 7 HH21 ARG 7 -6.308 -0.773 -5.875 62 HH12 ARG 7 HH22 ARG 7 -6.478 -2.216 -4.933 63 HH21 ARG 7 HH11 ARG 7 -9.926 -1.966 -4.683 64 HH22 ARG 7 HH12 ARG 7 -8.526 -2.892 -4.258 65 H TRP 8 H TRP 8 -4.564 2.946 -6.575 66 HA TRP 8 HA TRP 8 -3.445 4.062 -9.040 67 HB2 TRP 8 HB3 TRP 8 -2.712 5.182 -6.325 68 HB3 TRP 8 HB2 TRP 8 -1.671 5.350 -7.738 69 HD1 TRP 8 HD1 TRP 8 -3.457 6.103 -10.016 70 HE1 TRP 8 HE1 TRP 8 -4.906 8.236 -10.028 71 HE3 TRP 8 HE3 TRP 8 -3.738 7.006 -4.998 72 HZ2 TRP 8 HZ2 TRP 8 -6.033 10.081 -8.156 73 HZ3 TRP 8 HZ3 TRP 8 -5.004 8.954 -4.141 74 HH2 TRP 8 HH2 TRP 8 -6.152 10.493 -5.711 75 H GLU 9 H GLU 9 -1.790 2.746 -9.693 76 HA GLU 9 HA GLU 9 -1.050 0.465 -8.058 77 HB2 GLU 9 HB3 GLU 9 0.039 1.516 -10.687 78 HB3 GLU 9 HB2 GLU 9 0.542 -0.006 -9.949 79 HG2 GLU 9 HG2 GLU 9 -1.755 -0.844 -10.032 80 HG3 GLU 9 HG3 GLU 9 -2.312 0.695 -10.691 81 H CYS 10 H CYS 10 1.007 0.049 -7.115 82 HA CYS 10 HA CYS 10 2.646 2.511 -6.668 83 HB2 CYS 10 HB3 CYS 10 1.493 1.491 -4.660 84 HB3 CYS 10 HB2 CYS 10 2.497 0.060 -4.893 85 HG CYS 10 HG CYS 10 3.427 2.373 -3.385 86 HA PRO 11 HA PRO 11 5.448 0.065 -9.305 87 HB2 PRO 11 HB3 PRO 11 7.051 2.527 -8.810 88 HB3 PRO 11 HB2 PRO 11 6.680 1.709 -10.339 89 HG2 PRO 11 HG3 PRO 11 5.485 3.986 -9.657 90 HG3 PRO 11 HG2 PRO 11 4.623 2.709 -10.532 91 HD2 PRO 11 HD3 PRO 11 4.406 3.491 -7.651 92 HD3 PRO 11 HD2 PRO 11 3.166 2.856 -8.754 93 H ALA 12 H ALA 12 6.106 1.660 -6.228 94 HA ALA 12 HA ALA 12 8.695 0.503 -5.771 95 HB1 ALA 12 HB1 ALA 12 7.014 2.284 -4.422 96 HB2 ALA 12 HB2 ALA 12 8.599 1.734 -3.881 97 HB3 ALA 12 HB3 ALA 12 7.144 0.900 -3.338 98 H LEU 13 H LEU 13 5.452 -0.736 -5.494 99 HA LEU 13 HA LEU 13 6.396 -3.081 -3.937 100 HB2 LEU 13 HB2 LEU 13 3.680 -2.039 -4.735 101 HB3 LEU 13 HB3 LEU 13 3.881 -3.690 -4.146 102 HG LEU 13 HG LEU 13 4.690 -2.958 -2.038 103 HD11 LEU 13 HD11 LEU 13 5.083 -0.456 -1.660 104 HD12 LEU 13 HD12 LEU 13 5.029 -0.285 -3.415 105 HD13 LEU 13 HD13 LEU 13 6.274 -1.284 -2.663 106 HD21 LEU 13 HD21 LEU 13 2.188 -2.265 -2.905 107 HD22 LEU 13 HD22 LEU 13 2.798 -0.707 -2.348 108 HD23 LEU 13 HD23 LEU 13 2.742 -2.078 -1.241 109 HA PRO 14 HA PRO 14 6.839 -5.777 -7.387 110 HB2 PRO 14 HB3 PRO 14 5.184 -7.765 -5.928 111 HB3 PRO 14 HB2 PRO 14 6.855 -7.896 -6.512 112 HG2 PRO 14 HG3 PRO 14 6.313 -7.618 -3.925 113 HG3 PRO 14 HG2 PRO 14 7.728 -6.851 -4.664 114 HD2 PRO 14 HD3 PRO 14 5.124 -5.585 -3.839 115 HD3 PRO 14 HD2 PRO 14 6.784 -4.957 -3.754 116 H GLN 15 H GLN 15 5.712 -6.333 -9.268 117 HA GLN 15 HA GLN 15 3.232 -5.219 -9.877 118 HB2 GLN 15 HB3 GLN 15 4.798 -6.226 -11.542 119 HB3 GLN 15 HB2 GLN 15 4.295 -7.828 -11.000 120 HG2 GLN 15 HG2 GLN 15 3.018 -7.206 -12.989 121 HG3 GLN 15 HG3 GLN 15 1.944 -7.254 -11.590 122 HE21 GLN 15 HE21 GLN 15 0.441 -5.610 -12.105 123 HE22 GLN 15 HE22 GLN 15 0.874 -4.000 -12.423 124 H GLY 16 H GLY 16 1.154 -5.695 -9.318 125 HA2 GLY 16 HA2 GLY 16 -0.548 -7.533 -9.050 126 HA3 GLY 16 HA3 GLY 16 0.650 -8.361 -8.055 127 H TRP 17 H TRP 17 1.420 -5.615 -6.935 128 HA TRP 17 HA TRP 17 -0.509 -5.685 -4.722 129 HB2 TRP 17 HB3 TRP 17 1.980 -4.036 -5.240 130 HB3 TRP 17 HB2 TRP 17 0.986 -3.865 -3.792 131 HD1 TRP 17 HD1 TRP 17 2.291 -6.989 -5.679 132 HE1 TRP 17 HE1 TRP 17 3.401 -8.553 -3.956 133 HE3 TRP 17 HE3 TRP 17 1.735 -4.180 -1.451 134 HZ2 TRP 17 HZ2 TRP 17 3.975 -8.607 -1.154 135 HZ3 TRP 17 HZ3 TRP 17 2.570 -5.011 0.729 136 HH2 TRP 17 HH2 TRP 17 3.688 -7.218 0.883 137 H GLU 18 H GLU 18 -1.801 -3.862 -4.088 138 HA GLU 18 HA GLU 18 -2.169 -1.802 -6.225 139 HB2 GLU 18 HB3 GLU 18 -4.312 -3.299 -4.687 140 HB3 GLU 18 HB2 GLU 18 -4.624 -1.895 -5.709 141 HG2 GLU 18 HG2 GLU 18 -3.719 -3.083 -7.656 142 HG3 GLU 18 HG3 GLU 18 -3.341 -4.478 -6.646 143 H ARG 19 H ARG 19 -2.660 0.288 -5.461 144 HA ARG 19 HA ARG 19 -2.708 0.609 -2.489 145 HB2 ARG 19 HB3 ARG 19 -0.489 1.241 -3.381 146 HB3 ARG 19 HB2 ARG 19 -1.262 2.370 -4.492 147 HG2 ARG 19 HG3 ARG 19 -2.238 3.571 -2.534 148 HG3 ARG 19 HG2 ARG 19 -1.345 2.490 -1.464 149 HD2 ARG 19 HD3 ARG 19 0.778 3.243 -2.471 150 HD3 ARG 19 HD2 ARG 19 -0.113 4.328 -3.539 151 HE ARG 19 HE ARG 19 0.348 4.731 -0.657 152 HH11 ARG 19 HH21 ARG 19 -1.375 5.528 -3.535 153 HH12 ARG 19 HH22 ARG 19 -1.869 7.088 -2.967 154 HH21 ARG 19 HH11 ARG 19 -0.287 6.764 0.101 155 HH22 ARG 19 HH12 ARG 19 -1.252 7.787 -0.908 156 H GLU 20 H GLU 20 -4.521 1.662 -1.847 157 HA GLU 20 HA GLU 20 -5.757 3.613 -3.744 158 HB2 GLU 20 HB3 GLU 20 -7.994 2.793 -2.792 159 HB3 GLU 20 HB2 GLU 20 -7.172 1.700 -3.907 160 HG2 GLU 20 HG2 GLU 20 -6.215 0.468 -1.991 161 HG3 GLU 20 HG3 GLU 20 -7.049 1.554 -0.880 162 H GLU 21 H GLU 21 -6.466 5.503 -2.776 163 HA GLU 21 HA GLU 21 -5.788 5.826 0.092 164 HB2 GLU 21 HB3 GLU 21 -4.958 7.479 -1.595 165 HB3 GLU 21 HB2 GLU 21 -6.632 7.919 -1.934 166 HG2 GLU 21 HG2 GLU 21 -6.944 8.565 0.428 167 HG3 GLU 21 HG3 GLU 21 -5.269 8.133 0.766 168 H VAL 22 H VAL 22 -7.338 6.442 1.636 169 HA VAL 22 HA VAL 22 -10.176 6.445 0.689 170 HB VAL 22 HB VAL 22 -9.118 5.198 3.245 171 HG11 VAL 22 HG21 VAL 22 -11.467 6.179 3.242 172 HG12 VAL 22 HG22 VAL 22 -11.370 4.455 3.606 173 HG13 VAL 22 HG23 VAL 22 -11.871 4.992 2.003 174 HG21 VAL 22 HG13 VAL 22 -9.648 3.055 2.177 175 HG22 VAL 22 HG11 VAL 22 -8.497 3.943 1.180 176 HG23 VAL 22 HG12 VAL 22 -10.200 3.891 0.725 177 HA PRO 23 HA PRO 23 -10.312 10.351 2.777 178 HB2 PRO 23 HB3 PRO 23 -13.047 10.519 3.008 179 HB3 PRO 23 HB2 PRO 23 -12.158 10.857 1.510 180 HG2 PRO 23 HG3 PRO 23 -13.616 8.390 2.331 181 HG3 PRO 23 HG2 PRO 23 -13.564 9.197 0.756 182 HD2 PRO 23 HD3 PRO 23 -12.097 6.986 1.284 183 HD3 PRO 23 HD2 PRO 23 -11.493 8.253 0.196 184 H ARG 24 H ARG 24 -10.741 11.193 4.899 185 HA ARG 24 HA ARG 24 -10.595 9.320 7.036 186 HB2 ARG 24 HB3 ARG 24 -11.363 11.429 8.405 187 HB3 ARG 24 HB2 ARG 24 -9.795 11.446 7.596 188 HG2 ARG 24 HG3 ARG 24 -10.428 13.113 6.213 189 HG3 ARG 24 HG2 ARG 24 -11.938 12.295 5.812 190 HD2 ARG 24 HD3 ARG 24 -11.474 13.840 8.379 191 HD3 ARG 24 HD2 ARG 24 -12.279 14.501 6.956 192 HE ARG 24 HE ARG 24 -13.398 12.499 8.802 193 HH11 ARG 24 HH21 ARG 24 -13.483 14.104 5.751 194 HH12 ARG 24 HH22 ARG 24 -15.153 13.746 5.460 195 HH21 ARG 24 HH11 ARG 24 -15.577 12.024 8.440 196 HH22 ARG 24 HH12 ARG 24 -16.338 12.570 6.983 197 H ARG 25 H ARG 25 -12.360 7.835 6.699 198 HA ARG 25 HA ARG 25 -15.083 8.945 7.161 199 HB2 ARG 25 HB3 ARG 25 -14.153 6.180 6.329 200 HB3 ARG 25 HB2 ARG 25 -15.839 6.636 6.570 201 HG2 ARG 25 HG3 ARG 25 -15.676 8.323 4.814 202 HG3 ARG 25 HG2 ARG 25 -13.957 7.985 4.614 203 HD2 ARG 25 HD3 ARG 25 -15.156 6.801 2.874 204 HD3 ARG 25 HD2 ARG 25 -14.563 5.613 4.034 205 HE ARG 25 HE ARG 25 -16.814 5.222 4.733 206 HH11 ARG 25 HH21 ARG 25 -16.474 7.854 2.534 207 HH12 ARG 25 HH22 ARG 25 -18.172 7.987 2.221 208 HH21 ARG 25 HH11 ARG 25 -19.033 5.379 4.338 209 HH22 ARG 25 HH12 ARG 25 -19.621 6.585 3.243 210 H SER 26 H SER 26 -15.337 9.231 9.354 211 HA SER 26 HA SER 26 -15.595 8.632 11.609 212 HB2 SER 26 HB3 SER 26 -16.695 6.606 10.401 213 HB3 SER 26 HB2 SER 26 -15.207 5.754 10.804 214 HG SER 26 HG SER 26 -17.305 6.323 12.364 215 H GLY 27 H GLY 27 -14.161 8.458 13.327 216 HA2 GLY 27 HA2 GLY 27 -12.087 7.020 14.041 217 HA3 GLY 27 HA3 GLY 27 -11.365 7.732 12.597 218 H LEU 28 H LEU 28 -10.701 8.065 15.522 219 HA LEU 28 HA LEU 28 -11.454 10.767 16.254 220 HB2 LEU 28 HB2 LEU 28 -9.228 8.958 17.239 221 HB3 LEU 28 HB3 LEU 28 -9.637 10.512 17.966 222 HG LEU 28 HG LEU 28 -11.601 8.227 17.634 223 HD11 LEU 28 HD11 LEU 28 -9.909 9.098 19.991 224 HD12 LEU 28 HD12 LEU 28 -9.943 7.511 19.221 225 HD13 LEU 28 HD13 LEU 28 -11.332 8.068 20.155 226 HD21 LEU 28 HD21 LEU 28 -12.917 10.128 17.846 227 HD22 LEU 28 HD22 LEU 28 -11.691 11.000 18.766 228 HD23 LEU 28 HD23 LEU 28 -12.655 9.746 19.547 229 H SER 29 H SER 29 -8.454 9.321 14.946 230 HA SER 29 HA SER 29 -7.130 11.884 14.674 231 HB2 SER 29 HB3 SER 29 -6.471 9.385 13.108 232 HB3 SER 29 HB2 SER 29 -5.381 10.680 13.598 233 HG SER 29 HG SER 29 -5.341 9.907 15.600 234 H ALA 30 H ALA 30 -9.765 10.699 13.099 235 HA ALA 30 HA ALA 30 -9.452 10.957 10.371 236 HB1 ALA 30 HB1 ALA 30 -11.642 11.807 12.234 237 HB2 ALA 30 HB2 ALA 30 -11.661 10.568 10.979 238 HB3 ALA 30 HB3 ALA 30 -11.747 12.273 10.536 239 H GLY 31 H GLY 31 -10.082 12.952 8.993 240 HA2 GLY 31 HA2 GLY 31 -10.083 15.494 9.077 241 HA3 GLY 31 HA3 GLY 31 -8.652 15.338 10.096 242 H HIS 32 H HIS 32 -7.817 12.961 8.363 243 HA HIS 32 HA HIS 32 -6.939 14.518 5.965 244 HB2 HIS 32 HB2 HIS 32 -5.296 12.641 7.690 245 HB3 HIS 32 HB3 HIS 32 -4.763 13.272 6.130 246 HD1 HIS 32 HD1 HIS 32 -5.239 14.226 9.699 247 HD2 HIS 32 HD2 HIS 32 -4.263 16.120 6.113 248 HE1 HIS 32 HE1 HIS 32 -4.358 16.521 10.316 249 HE2 HIS 32 HE2 HIS 32 -3.761 17.682 8.141 250 H ARG 33 H ARG 33 -5.542 12.393 4.740 251 HA ARG 33 HA ARG 33 -7.799 10.513 4.186 252 HB2 ARG 33 HB3 ARG 33 -5.543 11.500 2.417 253 HB3 ARG 33 HB2 ARG 33 -6.639 10.194 1.962 254 HG2 ARG 33 HG3 ARG 33 -8.565 11.709 2.208 255 HG3 ARG 33 HG2 ARG 33 -7.481 13.018 2.683 256 HD2 ARG 33 HD3 ARG 33 -6.358 12.909 0.504 257 HD3 ARG 33 HD2 ARG 33 -7.389 11.560 0.025 258 HE ARG 33 HE ARG 33 -9.200 13.090 -0.259 259 HH11 ARG 33 HH21 ARG 33 -6.396 14.503 1.163 260 HH12 ARG 33 HH22 ARG 33 -6.952 16.132 0.964 261 HH21 ARG 33 HH11 ARG 33 -9.944 15.208 -0.527 262 HH22 ARG 33 HH12 ARG 33 -8.961 16.531 0.007 263 H ASP 34 H ASP 34 -7.452 8.395 4.669 264 HA ASP 34 HA ASP 34 -4.758 7.604 5.602 265 HB2 ASP 34 HB2 ASP 34 -7.448 6.205 5.681 266 HB3 ASP 34 HB3 ASP 34 -5.954 5.497 6.296 267 H VAL 35 H VAL 35 -3.491 6.075 4.551 268 HA VAL 35 HA VAL 35 -4.456 5.248 1.850 269 HB VAL 35 HB VAL 35 -1.611 5.266 2.898 270 HG11 VAL 35 HG21 VAL 35 -0.964 4.867 0.667 271 HG12 VAL 35 HG22 VAL 35 -2.533 5.363 0.029 272 HG13 VAL 35 HG23 VAL 35 -2.371 3.823 0.873 273 HG21 VAL 35 HG13 VAL 35 -2.811 7.537 2.800 274 HG22 VAL 35 HG11 VAL 35 -2.873 7.305 1.054 275 HG23 VAL 35 HG12 VAL 35 -1.316 7.399 1.876 276 H PHE 36 H PHE 36 -4.732 3.093 1.430 277 HA PHE 36 HA PHE 36 -3.724 1.163 3.486 278 HB2 PHE 36 HB3 PHE 36 -6.315 1.177 1.918 279 HB3 PHE 36 HB2 PHE 36 -5.721 -0.250 2.770 280 HD1 PHE 36 HD2 PHE 36 -5.457 -0.224 5.239 281 HD2 PHE 36 HD1 PHE 36 -7.208 3.071 3.113 282 HE1 PHE 36 HE2 PHE 36 -6.380 0.658 7.366 283 HE2 PHE 36 HE1 PHE 36 -8.131 3.953 5.239 284 HZ PHE 36 HZ PHE 36 -7.717 2.747 7.365 285 H TYR 37 H TYR 37 -2.728 -0.703 2.699 286 HA TYR 37 HA TYR 37 -2.295 -0.763 -0.259 287 HB2 TYR 37 HB3 TYR 37 -0.533 -1.572 2.060 288 HB3 TYR 37 HB2 TYR 37 -0.216 -2.119 0.413 289 HD1 TYR 37 HD2 TYR 37 -0.691 0.934 2.504 290 HD2 TYR 37 HD1 TYR 37 0.826 -0.696 -1.169 291 HE1 TYR 37 HE2 TYR 37 0.395 3.104 1.989 292 HE2 TYR 37 HE1 TYR 37 1.911 1.473 -1.683 293 HH TYR 37 HH TYR 37 2.047 4.062 0.666 294 H TYR 38 H TYR 38 -2.498 -2.771 -1.326 295 HA TYR 38 HA TYR 38 -3.580 -5.007 0.340 296 HB2 TYR 38 HB3 TYR 38 -4.513 -4.071 -2.391 297 HB3 TYR 38 HB2 TYR 38 -5.045 -5.564 -1.619 298 HD1 TYR 38 HD2 TYR 38 -5.021 -1.863 -1.323 299 HD2 TYR 38 HD1 TYR 38 -6.648 -5.550 0.164 300 HE1 TYR 38 HE2 TYR 38 -6.723 -0.595 -0.041 301 HE2 TYR 38 HE1 TYR 38 -8.350 -4.282 1.445 302 HH TYR 38 HH TYR 38 -9.056 -2.269 2.070 303 H SER 39 H SER 39 -2.766 -7.039 -0.152 304 HA SER 39 HA SER 39 -0.573 -7.098 -2.164 305 HB2 SER 39 HB3 SER 39 0.490 -8.227 -0.527 306 HB3 SER 39 HB2 SER 39 -0.978 -8.278 0.444 307 HG SER 39 HG SER 39 -0.737 -9.965 -1.784 308 HA PRO 40 HA PRO 40 -2.623 -9.712 -5.039 309 HB2 PRO 40 HB3 PRO 40 -0.881 -11.865 -5.251 310 HB3 PRO 40 HB2 PRO 40 -0.682 -10.313 -6.085 311 HG2 PRO 40 HG3 PRO 40 0.590 -11.291 -3.577 312 HG3 PRO 40 HG2 PRO 40 1.288 -10.351 -4.907 313 HD2 PRO 40 HD3 PRO 40 0.589 -9.155 -2.589 314 HD3 PRO 40 HD2 PRO 40 0.361 -8.330 -4.146 315 H SER 41 H SER 41 -1.767 -11.049 -1.947 316 HA SER 41 HA SER 41 -3.440 -13.452 -2.343 317 HB2 SER 41 HB3 SER 41 -2.830 -13.727 0.177 318 HB3 SER 41 HB2 SER 41 -1.560 -13.947 -1.025 319 HG SER 41 HG SER 41 -1.237 -12.457 0.897 320 H GLY 42 H GLY 42 -4.041 -10.270 -1.697 321 HA2 GLY 42 HA2 GLY 42 -6.160 -9.335 -1.129 322 HA3 GLY 42 HA3 GLY 42 -6.668 -10.918 -0.534 323 H LYS 43 H LYS 43 -3.587 -9.946 0.577 324 HA LYS 43 HA LYS 43 -4.601 -9.749 3.315 325 HB2 LYS 43 HB3 LYS 43 -2.479 -10.888 2.915 326 HB3 LYS 43 HB2 LYS 43 -1.810 -9.435 2.171 327 HG2 LYS 43 HG3 LYS 43 -2.109 -8.218 4.311 328 HG3 LYS 43 HG2 LYS 43 -2.722 -9.698 5.052 329 HD2 LYS 43 HD3 LYS 43 -0.605 -10.827 4.680 330 HD3 LYS 43 HD2 LYS 43 0.015 -9.446 3.774 331 HE2 LYS 43 HE3 LYS 43 -0.105 -8.039 5.770 332 HE3 LYS 43 HE2 LYS 43 -0.824 -9.363 6.687 333 HZ1 LYS 43 HZ1 LYS 43 1.930 -9.067 5.701 334 HZ2 LYS 43 HZ2 LYS 43 1.289 -10.622 5.932 335 HZ3 LYS 43 HZ3 LYS 43 1.385 -9.538 7.235 336 H LYS 44 H LYS 44 -5.403 -7.858 4.081 337 HA LYS 44 HA LYS 44 -4.556 -5.307 2.838 338 HB2 LYS 44 HB3 LYS 44 -6.961 -5.672 3.236 339 HB3 LYS 44 HB2 LYS 44 -6.647 -5.887 4.958 340 HG2 LYS 44 HG3 LYS 44 -5.768 -3.596 5.104 341 HG3 LYS 44 HG2 LYS 44 -6.037 -3.373 3.375 342 HD2 LYS 44 HD3 LYS 44 -8.460 -3.765 3.711 343 HD3 LYS 44 HD2 LYS 44 -8.181 -3.939 5.445 344 HE2 LYS 44 HE3 LYS 44 -7.343 -1.466 3.921 345 HE3 LYS 44 HE2 LYS 44 -8.942 -1.625 4.649 346 HZ1 LYS 44 HZ1 LYS 44 -6.317 -1.698 6.024 347 HZ2 LYS 44 HZ2 LYS 44 -7.772 -2.153 6.773 348 HZ3 LYS 44 HZ3 LYS 44 -7.560 -0.560 6.224 349 H PHE 45 H PHE 45 -3.075 -3.989 3.795 350 HA PHE 45 HA PHE 45 -2.586 -4.279 6.717 351 HB2 PHE 45 HB3 PHE 45 -0.071 -4.023 6.084 352 HB3 PHE 45 HB2 PHE 45 -0.819 -5.612 5.919 353 HD1 PHE 45 HD1 PHE 45 -1.913 -6.134 3.594 354 HD2 PHE 45 HD2 PHE 45 1.022 -3.067 4.247 355 HE1 PHE 45 HE1 PHE 45 -1.368 -6.139 1.174 356 HE2 PHE 45 HE2 PHE 45 1.567 -3.072 1.828 357 HZ PHE 45 HZ PHE 45 0.372 -4.608 0.291 358 H ARG 46 H ARG 46 -1.856 -2.345 7.699 359 HA ARG 46 HA ARG 46 -1.528 0.015 5.908 360 HB2 ARG 46 HB3 ARG 46 -3.901 -0.373 7.095 361 HB3 ARG 46 HB2 ARG 46 -3.059 0.395 8.441 362 HG2 ARG 46 HG3 ARG 46 -3.190 1.536 5.634 363 HG3 ARG 46 HG2 ARG 46 -4.238 2.037 6.962 364 HD2 ARG 46 HD3 ARG 46 -1.218 2.268 6.848 365 HD3 ARG 46 HD2 ARG 46 -2.381 3.593 6.828 366 HE ARG 46 HE ARG 46 -2.889 2.157 9.190 367 HH11 ARG 46 HH21 ARG 46 -0.303 3.864 7.677 368 HH12 ARG 46 HH22 ARG 46 0.416 4.367 9.169 369 HH21 ARG 46 HH11 ARG 46 -1.967 2.805 11.148 370 HH22 ARG 46 HH12 ARG 46 -0.526 3.767 11.136 371 H SER 47 H SER 47 0.724 -0.910 6.783 372 HA SER 47 HA SER 47 1.502 0.936 8.955 373 HB2 SER 47 HB3 SER 47 2.473 -1.892 9.186 374 HB3 SER 47 HB2 SER 47 2.311 -0.663 10.437 375 HG SER 47 HG SER 47 0.211 -2.039 9.102 376 H LYS 48 H LYS 48 3.502 1.790 8.525 377 HA LYS 48 HA LYS 48 4.792 1.382 6.047 378 HB2 LYS 48 HB3 LYS 48 5.190 3.000 8.341 379 HB3 LYS 48 HB2 LYS 48 6.720 2.175 8.035 380 HG2 LYS 48 HG3 LYS 48 5.144 3.618 5.889 381 HG3 LYS 48 HG2 LYS 48 6.457 4.363 6.800 382 HD2 LYS 48 HD3 LYS 48 7.833 2.272 6.065 383 HD3 LYS 48 HD2 LYS 48 6.585 2.088 4.835 384 HE2 LYS 48 HE3 LYS 48 8.218 3.423 3.775 385 HE3 LYS 48 HE2 LYS 48 7.008 4.588 4.314 386 HZ1 LYS 48 HZ1 LYS 48 8.582 5.592 5.476 387 HZ2 LYS 48 HZ2 LYS 48 9.724 4.416 5.029 388 HZ3 LYS 48 HZ3 LYS 48 8.778 4.196 6.422 389 HA PRO 49 HA PRO 49 7.891 -1.426 8.696 390 HB2 PRO 49 HB3 PRO 49 5.773 -2.575 10.459 391 HB3 PRO 49 HB2 PRO 49 7.463 -2.184 10.832 392 HG2 PRO 49 HG3 PRO 49 5.486 -0.651 11.705 393 HG3 PRO 49 HG2 PRO 49 7.016 0.051 11.157 394 HD2 PRO 49 HD3 PRO 49 4.363 -0.021 9.737 395 HD3 PRO 49 HD2 PRO 49 5.610 1.243 9.712 396 H GLN 50 H GLN 50 4.511 -2.324 8.066 397 HA GLN 50 HA GLN 50 5.041 -5.078 7.429 398 HB2 GLN 50 HB3 GLN 50 2.787 -3.166 6.867 399 HB3 GLN 50 HB2 GLN 50 2.816 -4.743 6.077 400 HG2 GLN 50 HG2 GLN 50 3.157 -4.446 9.065 401 HG3 GLN 50 HG3 GLN 50 1.569 -4.613 8.317 402 HE21 GLN 50 HE21 GLN 50 3.117 -6.347 6.167 403 HE22 GLN 50 HE22 GLN 50 3.185 -7.872 6.911 404 H LEU 51 H LEU 51 5.019 -2.100 5.512 405 HA LEU 51 HA LEU 51 5.225 -3.376 2.946 406 HB2 LEU 51 HB2 LEU 51 5.822 -0.625 3.999 407 HB3 LEU 51 HB3 LEU 51 6.327 -1.063 2.366 408 HG LEU 51 HG LEU 51 4.019 0.004 2.555 409 HD11 LEU 51 HD11 LEU 51 3.249 -1.237 0.742 410 HD12 LEU 51 HD12 LEU 51 3.761 -2.771 1.444 411 HD13 LEU 51 HD13 LEU 51 4.956 -1.679 0.745 412 HD21 LEU 51 HD21 LEU 51 3.172 -2.726 3.526 413 HD22 LEU 51 HD22 LEU 51 2.229 -1.235 3.483 414 HD23 LEU 51 HD23 LEU 51 3.529 -1.424 4.661 415 H ALA 52 H ALA 52 7.738 -1.870 5.013 416 HA ALA 52 HA ALA 52 9.913 -2.712 3.331 417 HB1 ALA 52 HB1 ALA 52 10.432 -0.934 4.784 418 HB2 ALA 52 HB2 ALA 52 11.248 -2.308 5.528 419 HB3 ALA 52 HB3 ALA 52 9.709 -1.740 6.176 420 H ARG 53 H ARG 53 8.580 -4.050 6.365 421 HA ARG 53 HA ARG 53 10.410 -6.210 6.610 422 HB2 ARG 53 HB3 ARG 53 8.800 -5.505 8.383 423 HB3 ARG 53 HB2 ARG 53 7.485 -6.180 7.418 424 HG2 ARG 53 HG3 ARG 53 8.404 -8.402 7.580 425 HG3 ARG 53 HG2 ARG 53 9.887 -7.791 8.318 426 HD2 ARG 53 HD3 ARG 53 8.433 -8.723 10.052 427 HD3 ARG 53 HD2 ARG 53 8.556 -6.975 10.256 428 HE ARG 53 HE ARG 53 6.272 -7.772 8.626 429 HH11 ARG 53 HH21 ARG 53 7.546 -7.289 11.792 430 HH12 ARG 53 HH22 ARG 53 5.999 -7.004 12.517 431 HH21 ARG 53 HH11 ARG 53 4.244 -7.400 9.553 432 HH22 ARG 53 HH12 ARG 53 4.128 -7.067 11.248 433 H TYR 54 H TYR 54 7.259 -6.035 4.943 434 HA TYR 54 HA TYR 54 7.321 -8.787 4.068 435 HB2 TYR 54 HB3 TYR 54 5.298 -7.172 4.201 436 HB3 TYR 54 HB2 TYR 54 5.850 -6.577 2.635 437 HD1 TYR 54 HD2 TYR 54 6.323 -8.380 0.804 438 HD2 TYR 54 HD1 TYR 54 3.934 -9.077 4.305 439 HE1 TYR 54 HE2 TYR 54 5.252 -10.319 -0.312 440 HE2 TYR 54 HE1 TYR 54 2.864 -11.015 3.190 441 HH TYR 54 HH TYR 54 4.042 -12.276 0.167 442 H LEU 55 H LEU 55 7.909 -5.723 2.300 443 HA LEU 55 HA LEU 55 9.007 -7.186 0.015 444 HB2 LEU 55 HB2 LEU 55 8.249 -4.421 0.641 445 HB3 LEU 55 HB3 LEU 55 9.722 -4.534 -0.322 446 HG LEU 55 HG LEU 55 7.654 -4.433 -1.724 447 HD11 LEU 55 HD11 LEU 55 9.827 -6.284 -1.873 448 HD12 LEU 55 HD12 LEU 55 8.906 -5.578 -3.201 449 HD13 LEU 55 HD13 LEU 55 8.380 -7.095 -2.470 450 HD21 LEU 55 HD21 LEU 55 5.922 -5.913 -1.477 451 HD22 LEU 55 HD22 LEU 55 6.545 -6.036 0.168 452 HD23 LEU 55 HD23 LEU 55 6.990 -7.245 -1.037 453 H GLY 56 H GLY 56 10.218 -6.504 3.009 454 HA2 GLY 56 HA2 GLY 56 12.779 -5.425 2.642 455 HA3 GLY 56 HA3 GLY 56 12.408 -6.651 3.853 456 H GLY 57 H GLY 57 14.806 -7.091 3.061 457 HA2 GLY 57 HA2 GLY 57 16.289 -8.422 1.797 458 HA3 GLY 57 HA3 GLY 57 14.984 -9.606 1.922 459 H SER 58 H SER 58 13.136 -9.200 0.281 460 HA SER 58 HA SER 58 14.185 -9.458 -2.340 461 HB2 SER 58 HB3 SER 58 11.848 -9.220 -3.099 462 HB3 SER 58 HB2 SER 58 11.945 -10.270 -1.687 463 HG SER 58 HG SER 58 11.510 -8.282 -0.456 464 H MET 59 H MET 59 13.162 -6.616 -0.539 465 HA MET 59 HA MET 59 14.515 -4.857 -2.405 466 HB2 MET 59 HB3 MET 59 11.740 -5.454 -2.892 467 HB3 MET 59 HB2 MET 59 11.901 -3.760 -2.429 468 HG2 MET 59 HG3 MET 59 13.670 -5.059 -4.511 469 HG3 MET 59 HG2 MET 59 12.160 -4.244 -4.917 470 HE1 MET 59 HE1 MET 59 12.068 -1.713 -5.461 471 HE2 MET 59 HE2 MET 59 12.600 -0.632 -4.178 472 HE3 MET 59 HE3 MET 59 11.559 -1.998 -3.792 473 H ASP 60 H ASP 60 14.416 -2.587 -1.641 474 HA ASP 60 HA ASP 60 13.757 -2.479 1.273 475 HB2 ASP 60 HB2 ASP 60 16.170 -2.122 0.487 476 HB3 ASP 60 HB3 ASP 60 15.607 -0.604 -0.213 477 H LEU 61 H LEU 61 12.165 -1.090 1.896 478 HA LEU 61 HA LEU 61 11.205 0.887 -0.134 479 HB2 LEU 61 HB2 LEU 61 9.686 -0.570 2.050 480 HB3 LEU 61 HB3 LEU 61 8.998 0.700 1.037 481 HG LEU 61 HG LEU 61 10.198 -1.885 0.000 482 HD11 LEU 61 HD11 LEU 61 8.068 -2.232 1.215 483 HD12 LEU 61 HD12 LEU 61 7.870 -2.500 -0.517 484 HD13 LEU 61 HD13 LEU 61 7.304 -0.997 0.214 485 HD21 LEU 61 HD21 LEU 61 9.113 0.601 -1.253 486 HD22 LEU 61 HD22 LEU 61 8.738 -0.935 -2.034 487 HD23 LEU 61 HD23 LEU 61 10.418 -0.451 -1.799 488 H SER 62 H SER 62 13.203 0.973 2.278 489 HA SER 62 HA SER 62 12.133 2.658 4.293 490 HB2 SER 62 HB3 SER 62 14.304 1.741 4.662 491 HB3 SER 62 HB2 SER 62 14.916 2.386 3.142 492 HG SER 62 HG SER 62 13.866 4.131 5.077 493 H THR 63 H THR 63 13.459 3.434 1.096 494 HA THR 63 HA THR 63 13.069 6.320 1.558 495 HB THR 63 HB THR 63 13.830 6.447 -0.876 496 HG1 THR 63 HG1 THR 63 13.622 3.736 -0.473 497 HG21 THR 63 HG21 THR 63 15.485 5.205 1.318 498 HG22 THR 63 HG22 THR 63 15.482 6.877 0.758 499 HG23 THR 63 HG23 THR 63 16.192 5.613 -0.245 500 H PHE 64 H PHE 64 10.830 4.196 1.361 501 HA PHE 64 HA PHE 64 9.361 5.128 -1.023 502 HB2 PHE 64 HB3 PHE 64 9.185 2.763 -0.407 503 HB3 PHE 64 HB2 PHE 64 8.586 3.205 1.193 504 HD1 PHE 64 HD1 PHE 64 7.837 3.980 -2.408 505 HD2 PHE 64 HD2 PHE 64 6.284 3.152 1.510 506 HE1 PHE 64 HE1 PHE 64 5.526 4.089 -3.301 507 HE2 PHE 64 HE2 PHE 64 3.972 3.261 0.617 508 HZ PHE 64 HZ PHE 64 3.594 3.731 -1.788 509 H ASP 65 H ASP 65 7.806 6.699 -0.965 510 HA ASP 65 HA ASP 65 7.424 8.161 1.552 511 HB2 ASP 65 HB2 ASP 65 7.696 9.298 -0.681 512 HB3 ASP 65 HB3 ASP 65 6.117 8.657 -1.139 513 H PHE 66 H PHE 66 5.957 7.345 2.974 514 HA PHE 66 HA PHE 66 3.746 5.658 2.104 515 HB2 PHE 66 HB3 PHE 66 4.663 5.160 4.253 516 HB3 PHE 66 HB2 PHE 66 4.541 6.841 4.773 517 HD1 PHE 66 HD1 PHE 66 2.184 4.398 3.160 518 HD2 PHE 66 HD2 PHE 66 2.893 7.144 6.386 519 HE1 PHE 66 HE1 PHE 66 -0.098 3.966 4.031 520 HE2 PHE 66 HE2 PHE 66 0.611 6.711 7.257 521 HZ PHE 66 HZ PHE 66 -0.884 5.122 6.079 522 H ARG 67 H ARG 67 4.100 9.005 3.243 523 HA ARG 67 HA ARG 67 1.303 9.593 3.397 524 HB2 ARG 67 HB3 ARG 67 3.795 11.250 3.100 525 HB3 ARG 67 HB2 ARG 67 2.213 12.014 2.946 526 HG2 ARG 67 HG3 ARG 67 2.995 12.137 5.273 527 HG3 ARG 67 HG2 ARG 67 1.570 11.104 5.158 528 HD2 ARG 67 HD3 ARG 67 3.465 10.166 6.566 529 HD3 ARG 67 HD2 ARG 67 2.899 9.109 5.271 530 HE ARG 67 HE ARG 67 5.004 10.625 4.181 531 HH11 ARG 67 HH21 ARG 67 4.434 8.392 6.746 532 HH12 ARG 67 HH22 ARG 67 6.040 7.740 6.713 533 HH21 ARG 67 HH11 ARG 67 7.103 9.786 4.125 534 HH22 ARG 67 HH12 ARG 67 7.551 8.530 5.229 535 H THR 68 H THR 68 3.659 9.910 0.745 536 HA THR 68 HA THR 68 1.453 10.746 -1.065 537 HB THR 68 HB THR 68 3.169 11.409 -2.612 538 HG1 THR 68 HG1 THR 68 5.113 10.577 -2.568 539 HG21 THR 68 HG21 THR 68 4.594 12.888 -1.179 540 HG22 THR 68 HG22 THR 68 3.975 12.041 0.240 541 HG23 THR 68 HG23 THR 68 2.878 12.974 -0.780 542 H GLY 69 H GLY 69 3.167 7.963 -0.124 543 HA2 GLY 69 HA2 GLY 69 3.125 5.768 -0.950 544 HA3 GLY 69 HA3 GLY 69 1.742 6.260 -1.929 545 H LYS 70 H LYS 70 5.034 7.594 -2.024 546 HA LYS 70 HA LYS 70 5.413 6.362 -4.706 547 HB2 LYS 70 HB3 LYS 70 5.641 9.322 -4.081 548 HB3 LYS 70 HB2 LYS 70 6.197 8.574 -5.581 549 HG2 LYS 70 HG3 LYS 70 3.904 7.764 -6.024 550 HG3 LYS 70 HG2 LYS 70 3.349 8.533 -4.536 551 HD2 LYS 70 HD3 LYS 70 4.118 10.731 -5.423 552 HD3 LYS 70 HD2 LYS 70 4.555 9.938 -6.937 553 HE2 LYS 70 HE3 LYS 70 1.769 9.863 -5.749 554 HE3 LYS 70 HE2 LYS 70 2.281 11.025 -6.973 555 HZ1 LYS 70 HZ1 LYS 70 2.787 9.230 -8.464 556 HZ2 LYS 70 HZ2 LYS 70 1.188 9.059 -7.919 557 HZ3 LYS 70 HZ3 LYS 70 2.416 8.076 -7.279 558 H MET 71 H MET 71 7.691 6.390 -5.380 559 HA MET 71 HA MET 71 9.486 6.152 -3.058 560 HB2 MET 71 HB3 MET 71 9.887 5.630 -6.018 561 HB3 MET 71 HB2 MET 71 11.130 5.368 -4.795 562 HG2 MET 71 HG3 MET 71 9.713 3.750 -3.643 563 HG3 MET 71 HG2 MET 71 8.393 4.063 -4.772 564 HE1 MET 71 HE1 MET 71 11.175 1.875 -3.832 565 HE2 MET 71 HE2 MET 71 12.175 3.126 -4.568 566 HE3 MET 71 HE3 MET 71 12.116 1.520 -5.288 567 H LEU 72 H LEU 72 10.990 7.671 -2.491 568 HA LEU 72 HA LEU 72 11.260 10.041 -4.291 569 HB2 LEU 72 HB2 LEU 72 11.256 9.676 -1.326 570 HB3 LEU 72 HB3 LEU 72 12.282 10.949 -1.989 571 HG LEU 72 HG LEU 72 9.928 11.684 -1.409 572 HD11 LEU 72 HD11 LEU 72 11.568 12.509 -3.386 573 HD12 LEU 72 HD12 LEU 72 9.982 13.230 -3.105 574 HD13 LEU 72 HD13 LEU 72 10.183 12.002 -4.356 575 HD21 LEU 72 HD21 LEU 72 9.099 9.382 -2.471 576 HD22 LEU 72 HD22 LEU 72 9.026 10.360 -3.936 577 HD23 LEU 72 HD23 LEU 72 8.085 10.824 -2.518 Start of MODEL 18 1 H1 GLY 1 H1 GLY 1 -11.209 3.965 -7.906 2 H2 GLY 1 H2 GLY 1 -12.434 2.846 -8.268 3 H3 GLY 1 H3 GLY 1 -12.331 3.518 -6.713 4 HA2 GLY 1 HA2 GLY 1 -13.054 4.908 -9.326 5 HA3 GLY 1 HA3 GLY 1 -14.026 4.715 -7.834 6 H SER 2 H SER 2 -14.517 6.914 -8.549 7 HA SER 2 HA SER 2 -13.143 8.508 -6.477 8 HB2 SER 2 HB3 SER 2 -14.844 10.274 -7.328 9 HB3 SER 2 HB2 SER 2 -13.555 9.776 -8.421 10 HG SER 2 HG SER 2 -15.812 9.786 -9.241 11 H MET 3 H MET 3 -15.467 6.242 -6.346 12 HA MET 3 HA MET 3 -17.549 7.570 -4.839 13 HB2 MET 3 HB3 MET 3 -16.756 4.644 -4.964 14 HB3 MET 3 HB2 MET 3 -18.238 5.257 -4.229 15 HG2 MET 3 HG3 MET 3 -17.436 5.609 -7.134 16 HG3 MET 3 HG2 MET 3 -18.654 4.483 -6.535 17 HE1 MET 3 HE1 MET 3 -20.374 6.307 -4.267 18 HE2 MET 3 HE2 MET 3 -20.528 4.920 -5.341 19 HE3 MET 3 HE3 MET 3 -21.601 6.303 -5.539 20 H GLU 4 H GLU 4 -15.286 8.527 -3.698 21 HA GLU 4 HA GLU 4 -14.336 8.851 -1.576 22 HB2 GLU 4 HB3 GLU 4 -16.804 8.269 -0.941 23 HB3 GLU 4 HB2 GLU 4 -16.137 6.703 -0.479 24 HG2 GLU 4 HG2 GLU 4 -14.552 7.797 1.038 25 HG3 GLU 4 HG3 GLU 4 -15.148 9.382 0.544 26 H ARG 5 H ARG 5 -13.778 6.415 -3.485 27 HA ARG 5 HA ARG 5 -11.610 5.353 -1.854 28 HB2 ARG 5 HB3 ARG 5 -14.148 3.934 -1.981 29 HB3 ARG 5 HB2 ARG 5 -12.834 2.961 -2.642 30 HG2 ARG 5 HG3 ARG 5 -11.513 3.314 -0.608 31 HG3 ARG 5 HG2 ARG 5 -12.780 4.348 0.055 32 HD2 ARG 5 HD3 ARG 5 -14.350 2.479 0.066 33 HD3 ARG 5 HD2 ARG 5 -13.157 1.436 -0.707 34 HE ARG 5 HE ARG 5 -12.045 1.228 1.382 35 HH11 ARG 5 HH21 ARG 5 -14.454 3.693 1.373 36 HH12 ARG 5 HH22 ARG 5 -14.404 3.935 3.087 37 HH21 ARG 5 HH11 ARG 5 -11.965 1.528 3.621 38 HH22 ARG 5 HH12 ARG 5 -12.994 2.709 4.360 39 H LYS 6 H LYS 6 -10.031 5.464 -3.379 40 HA LYS 6 HA LYS 6 -10.666 4.400 -6.104 41 HB2 LYS 6 HB3 LYS 6 -8.615 6.005 -6.671 42 HB3 LYS 6 HB2 LYS 6 -10.265 6.624 -6.600 43 HG2 LYS 6 HG3 LYS 6 -8.735 6.543 -4.043 44 HG3 LYS 6 HG2 LYS 6 -8.264 7.764 -5.225 45 HD2 LYS 6 HD3 LYS 6 -10.653 8.489 -5.363 46 HD3 LYS 6 HD2 LYS 6 -11.038 7.345 -4.076 47 HE2 LYS 6 HE3 LYS 6 -10.705 9.543 -3.089 48 HE3 LYS 6 HE2 LYS 6 -9.362 8.502 -2.618 49 HZ1 LYS 6 HZ1 LYS 6 -8.667 9.674 -5.035 50 HZ2 LYS 6 HZ2 LYS 6 -7.997 9.981 -3.504 51 HZ3 LYS 6 HZ3 LYS 6 -9.296 10.919 -4.069 52 H ARG 7 H ARG 7 -9.647 2.465 -6.312 53 HA ARG 7 HA ARG 7 -7.044 2.074 -4.914 54 HB2 ARG 7 HB3 ARG 7 -8.724 0.373 -4.425 55 HB3 ARG 7 HB2 ARG 7 -8.971 0.083 -6.147 56 HG2 ARG 7 HG3 ARG 7 -6.224 -0.192 -4.953 57 HG3 ARG 7 HG2 ARG 7 -7.384 -1.514 -4.819 58 HD2 ARG 7 HD3 ARG 7 -7.605 -0.780 -7.474 59 HD3 ARG 7 HD2 ARG 7 -5.881 -0.587 -7.159 60 HE ARG 7 HE ARG 7 -6.265 -3.029 -6.105 61 HH11 ARG 7 HH21 ARG 7 -7.506 -1.569 -8.970 62 HH12 ARG 7 HH22 ARG 7 -7.627 -3.062 -9.840 63 HH21 ARG 7 HH11 ARG 7 -6.415 -4.989 -7.223 64 HH22 ARG 7 HH12 ARG 7 -7.009 -4.999 -8.850 65 H TRP 8 H TRP 8 -5.228 2.213 -6.135 66 HA TRP 8 HA TRP 8 -5.457 1.606 -9.055 67 HB2 TRP 8 HB3 TRP 8 -3.839 3.781 -7.697 68 HB3 TRP 8 HB2 TRP 8 -3.673 3.342 -9.397 69 HD1 TRP 8 HD1 TRP 8 -6.506 3.055 -10.412 70 HE1 TRP 8 HE1 TRP 8 -8.174 5.021 -10.438 71 HE3 TRP 8 HE3 TRP 8 -4.380 6.061 -6.874 72 HZ2 TRP 8 HZ2 TRP 8 -8.556 7.536 -9.132 73 HZ3 TRP 8 HZ3 TRP 8 -5.417 8.234 -6.284 74 HH2 TRP 8 HH2 TRP 8 -7.498 8.975 -7.407 75 H GLU 9 H GLU 9 -3.091 1.246 -9.947 76 HA GLU 9 HA GLU 9 -1.940 -0.913 -8.336 77 HB2 GLU 9 HB3 GLU 9 -2.175 -0.888 -10.896 78 HB3 GLU 9 HB2 GLU 9 -0.800 0.217 -10.898 79 HG2 GLU 9 HG2 GLU 9 0.163 -1.938 -11.151 80 HG3 GLU 9 HG3 GLU 9 0.396 -1.542 -9.449 81 H CYS 10 H CYS 10 0.311 -0.952 -7.658 82 HA CYS 10 HA CYS 10 1.403 1.794 -7.184 83 HB2 CYS 10 HB3 CYS 10 2.156 -0.609 -5.534 84 HB3 CYS 10 HB2 CYS 10 2.192 1.097 -5.089 85 HG CYS 10 HG CYS 10 -0.235 -0.742 -4.862 86 HA PRO 11 HA PRO 11 4.398 0.112 -10.185 87 HB2 PRO 11 HB3 PRO 11 5.478 2.845 -9.673 88 HB3 PRO 11 HB2 PRO 11 5.168 2.023 -11.215 89 HG2 PRO 11 HG3 PRO 11 3.568 3.951 -10.345 90 HG3 PRO 11 HG2 PRO 11 2.928 2.535 -11.194 91 HD2 PRO 11 HD3 PRO 11 2.820 3.170 -8.261 92 HD3 PRO 11 HD2 PRO 11 1.641 2.316 -9.280 93 H ALA 12 H ALA 12 5.150 1.911 -7.204 94 HA ALA 12 HA ALA 12 7.899 1.240 -7.010 95 HB1 ALA 12 HB1 ALA 12 5.845 1.670 -4.821 96 HB2 ALA 12 HB2 ALA 12 6.905 2.892 -5.524 97 HB3 ALA 12 HB3 ALA 12 7.585 1.589 -4.548 98 H LEU 13 H LEU 13 5.007 -0.551 -5.982 99 HA LEU 13 HA LEU 13 6.697 -2.771 -5.000 100 HB2 LEU 13 HB2 LEU 13 3.737 -2.184 -4.956 101 HB3 LEU 13 HB3 LEU 13 4.348 -3.795 -4.582 102 HG LEU 13 HG LEU 13 4.027 -2.179 -2.601 103 HD11 LEU 13 HD11 LEU 13 5.399 -4.308 -2.621 104 HD12 LEU 13 HD12 LEU 13 5.941 -3.096 -1.461 105 HD13 LEU 13 HD13 LEU 13 6.810 -3.314 -2.980 106 HD21 LEU 13 HD21 LEU 13 5.129 -0.272 -3.890 107 HD22 LEU 13 HD22 LEU 13 6.665 -1.096 -3.622 108 HD23 LEU 13 HD23 LEU 13 5.721 -0.518 -2.247 109 HA PRO 14 HA PRO 14 6.664 -5.240 -8.625 110 HB2 PRO 14 HB3 PRO 14 5.802 -7.675 -7.565 111 HB3 PRO 14 HB2 PRO 14 7.472 -7.080 -7.551 112 HG2 PRO 14 HG3 PRO 14 5.409 -6.981 -5.409 113 HG3 PRO 14 HG2 PRO 14 7.150 -7.288 -5.290 114 HD2 PRO 14 HD3 PRO 14 6.131 -4.892 -4.609 115 HD3 PRO 14 HD2 PRO 14 7.698 -4.995 -5.444 116 H GLN 15 H GLN 15 5.221 -6.412 -10.122 117 HA GLN 15 HA GLN 15 2.636 -5.306 -10.336 118 HB2 GLN 15 HB3 GLN 15 3.863 -6.423 -12.198 119 HB3 GLN 15 HB2 GLN 15 3.555 -7.982 -11.430 120 HG2 GLN 15 HG2 GLN 15 1.143 -7.645 -11.627 121 HG3 GLN 15 HG3 GLN 15 1.400 -6.034 -12.300 122 HE21 GLN 15 HE21 GLN 15 -0.008 -8.043 -13.778 123 HE22 GLN 15 HE22 GLN 15 0.933 -8.478 -15.123 124 H GLY 16 H GLY 16 0.802 -5.701 -9.196 125 HA2 GLY 16 HA2 GLY 16 -0.773 -7.598 -8.542 126 HA3 GLY 16 HA3 GLY 16 0.620 -8.291 -7.710 127 H TRP 17 H TRP 17 1.433 -5.417 -6.999 128 HA TRP 17 HA TRP 17 -0.171 -5.297 -4.520 129 HB2 TRP 17 HB3 TRP 17 2.278 -3.778 -5.462 130 HB3 TRP 17 HB2 TRP 17 1.480 -3.482 -3.918 131 HD1 TRP 17 HD1 TRP 17 2.840 -6.569 -5.832 132 HE1 TRP 17 HE1 TRP 17 3.980 -8.125 -4.123 133 HE3 TRP 17 HE3 TRP 17 1.991 -3.937 -1.538 134 HZ2 TRP 17 HZ2 TRP 17 4.468 -8.240 -1.307 135 HZ3 TRP 17 HZ3 TRP 17 2.803 -4.793 0.641 136 HH2 TRP 17 HH2 TRP 17 4.040 -6.938 0.762 137 H GLU 18 H GLU 18 -1.567 -3.604 -4.017 138 HA GLU 18 HA GLU 18 -1.871 -1.441 -6.047 139 HB2 GLU 18 HB3 GLU 18 -4.130 -3.085 -4.862 140 HB3 GLU 18 HB2 GLU 18 -4.329 -1.690 -5.922 141 HG2 GLU 18 HG2 GLU 18 -4.463 -3.486 -7.425 142 HG3 GLU 18 HG3 GLU 18 -2.769 -3.010 -7.548 143 H ARG 19 H ARG 19 -2.787 0.515 -5.177 144 HA ARG 19 HA ARG 19 -2.814 0.596 -2.184 145 HB2 ARG 19 HB3 ARG 19 -2.114 2.991 -2.438 146 HB3 ARG 19 HB2 ARG 19 -0.914 1.849 -3.043 147 HG2 ARG 19 HG3 ARG 19 -1.722 2.182 -5.336 148 HG3 ARG 19 HG2 ARG 19 -2.968 3.285 -4.751 149 HD2 ARG 19 HD3 ARG 19 -0.068 3.797 -4.124 150 HD3 ARG 19 HD2 ARG 19 -0.747 4.295 -5.674 151 HE ARG 19 HE ARG 19 -2.158 5.867 -4.510 152 HH11 ARG 19 HH21 ARG 19 -0.138 3.937 -2.490 153 HH12 ARG 19 HH22 ARG 19 -0.345 4.944 -1.095 154 HH21 ARG 19 HH11 ARG 19 -2.441 7.193 -2.699 155 HH22 ARG 19 HH12 ARG 19 -1.648 6.786 -1.214 156 H GLU 20 H GLU 20 -4.289 2.280 -1.285 157 HA GLU 20 HA GLU 20 -6.478 3.094 -3.118 158 HB2 GLU 20 HB3 GLU 20 -7.053 0.868 -2.059 159 HB3 GLU 20 HB2 GLU 20 -7.015 1.680 -0.494 160 HG2 GLU 20 HG2 GLU 20 -8.789 3.192 -1.175 161 HG3 GLU 20 HG3 GLU 20 -8.760 2.545 -2.815 162 H GLU 21 H GLU 21 -7.330 5.079 -2.560 163 HA GLU 21 HA GLU 21 -6.262 6.312 -0.053 164 HB2 GLU 21 HB3 GLU 21 -7.120 7.560 -2.679 165 HB3 GLU 21 HB2 GLU 21 -6.712 8.492 -1.239 166 HG2 GLU 21 HG2 GLU 21 -4.460 7.549 -1.218 167 HG3 GLU 21 HG3 GLU 21 -4.855 6.511 -2.588 168 H VAL 22 H VAL 22 -7.734 6.933 1.473 169 HA VAL 22 HA VAL 22 -10.580 7.245 0.638 170 HB VAL 22 HB VAL 22 -9.799 5.822 3.185 171 HG11 VAL 22 HG21 VAL 22 -12.143 4.926 2.875 172 HG12 VAL 22 HG22 VAL 22 -12.325 6.045 1.525 173 HG13 VAL 22 HG23 VAL 22 -12.061 6.666 3.154 174 HG21 VAL 22 HG13 VAL 22 -10.050 4.779 0.381 175 HG22 VAL 22 HG11 VAL 22 -10.604 3.773 1.719 176 HG23 VAL 22 HG12 VAL 22 -8.924 4.301 1.652 177 HA PRO 23 HA PRO 23 -9.844 10.906 3.097 178 HB2 PRO 23 HB3 PRO 23 -12.247 12.085 2.616 179 HB3 PRO 23 HB2 PRO 23 -10.945 12.039 1.412 180 HG2 PRO 23 HG3 PRO 23 -13.400 10.372 1.611 181 HG3 PRO 23 HG2 PRO 23 -12.596 11.035 0.179 182 HD2 PRO 23 HD3 PRO 23 -12.321 8.401 1.020 183 HD3 PRO 23 HD2 PRO 23 -11.118 9.260 0.032 184 H ARG 24 H ARG 24 -10.226 11.307 5.258 185 HA ARG 24 HA ARG 24 -12.287 9.668 6.607 186 HB2 ARG 24 HB3 ARG 24 -9.854 9.922 7.418 187 HB3 ARG 24 HB2 ARG 24 -10.329 11.537 7.947 188 HG2 ARG 24 HG3 ARG 24 -12.094 10.595 9.352 189 HG3 ARG 24 HG2 ARG 24 -11.720 8.972 8.772 190 HD2 ARG 24 HD3 ARG 24 -9.755 10.753 10.239 191 HD3 ARG 24 HD2 ARG 24 -10.695 9.472 11.002 192 HE ARG 24 HE ARG 24 -9.377 8.263 8.840 193 HH11 ARG 24 HH21 ARG 24 -8.608 10.011 11.709 194 HH12 ARG 24 HH22 ARG 24 -7.091 9.210 11.950 195 HH21 ARG 24 HH11 ARG 24 -7.401 7.207 9.137 196 HH22 ARG 24 HH12 ARG 24 -6.408 7.622 10.493 197 H ARG 25 H ARG 25 -13.508 10.842 8.439 198 HA ARG 25 HA ARG 25 -14.249 13.602 7.557 199 HB2 ARG 25 HB3 ARG 25 -16.126 11.465 8.615 200 HB3 ARG 25 HB2 ARG 25 -16.581 13.096 8.120 201 HG2 ARG 25 HG3 ARG 25 -15.643 12.564 5.831 202 HG3 ARG 25 HG2 ARG 25 -15.483 10.889 6.363 203 HD2 ARG 25 HD3 ARG 25 -18.055 12.491 6.253 204 HD3 ARG 25 HD2 ARG 25 -17.602 11.171 5.175 205 HE ARG 25 HE ARG 25 -18.525 10.892 7.957 206 HH11 ARG 25 HH21 ARG 25 -16.977 9.541 5.187 207 HH12 ARG 25 HH22 ARG 25 -17.266 7.900 5.662 208 HH21 ARG 25 HH11 ARG 25 -18.911 8.759 8.591 209 HH22 ARG 25 HH12 ARG 25 -18.360 7.458 7.589 210 H SER 26 H SER 26 -13.988 15.066 9.171 211 HA SER 26 HA SER 26 -14.719 14.508 11.915 212 HB2 SER 26 HB3 SER 26 -12.495 13.312 11.687 213 HB3 SER 26 HB2 SER 26 -11.758 14.883 11.386 214 HG SER 26 HG SER 26 -12.637 15.545 13.423 215 H GLY 27 H GLY 27 -14.396 16.439 13.282 216 HA2 GLY 27 HA2 GLY 27 -14.893 18.872 11.836 217 HA3 GLY 27 HA3 GLY 27 -14.586 18.763 13.570 218 H LEU 28 H LEU 28 -12.370 18.821 14.305 219 HA LEU 28 HA LEU 28 -10.707 20.611 12.771 220 HB2 LEU 28 HB2 LEU 28 -9.015 19.607 14.661 221 HB3 LEU 28 HB3 LEU 28 -10.162 20.913 14.966 222 HG LEU 28 HG LEU 28 -11.080 18.067 15.227 223 HD11 LEU 28 HD11 LEU 28 -9.487 19.638 17.274 224 HD12 LEU 28 HD12 LEU 28 -9.051 18.087 16.556 225 HD13 LEU 28 HD13 LEU 28 -10.427 18.196 17.654 226 HD21 LEU 28 HD21 LEU 28 -12.462 20.313 15.385 227 HD22 LEU 28 HD22 LEU 28 -11.782 20.379 17.010 228 HD23 LEU 28 HD23 LEU 28 -12.775 19.006 16.526 229 H SER 29 H SER 29 -10.755 17.116 13.263 230 HA SER 29 HA SER 29 -8.190 16.704 11.930 231 HB2 SER 29 HB3 SER 29 -10.308 14.987 13.121 232 HB3 SER 29 HB2 SER 29 -9.324 14.259 11.854 233 HG SER 29 HG SER 29 -7.623 14.344 13.123 234 H ALA 30 H ALA 30 -10.758 17.988 10.641 235 HA ALA 30 HA ALA 30 -11.602 16.319 8.500 236 HB1 ALA 30 HB1 ALA 30 -11.618 19.229 9.080 237 HB2 ALA 30 HB2 ALA 30 -12.928 18.184 8.527 238 HB3 ALA 30 HB3 ALA 30 -11.736 18.787 7.376 239 H GLY 31 H GLY 31 -10.836 16.135 6.340 240 HA2 GLY 31 HA2 GLY 31 -9.287 16.497 4.550 241 HA3 GLY 31 HA3 GLY 31 -8.282 17.449 5.645 242 H HIS 32 H HIS 32 -8.754 15.075 7.625 243 HA HIS 32 HA HIS 32 -6.240 13.803 7.227 244 HB2 HIS 32 HB2 HIS 32 -8.693 13.025 8.813 245 HB3 HIS 32 HB3 HIS 32 -7.235 12.035 8.808 246 HD1 HIS 32 HD1 HIS 32 -6.938 12.654 11.381 247 HD2 HIS 32 HD2 HIS 32 -6.620 15.873 8.747 248 HE1 HIS 32 HE1 HIS 32 -5.885 14.551 12.690 249 HE2 HIS 32 HE2 HIS 32 -5.688 16.516 11.097 250 H ARG 33 H ARG 33 -5.769 12.588 5.454 251 HA ARG 33 HA ARG 33 -7.891 10.742 4.432 252 HB2 ARG 33 HB3 ARG 33 -7.140 12.513 2.833 253 HB3 ARG 33 HB2 ARG 33 -5.503 11.863 2.935 254 HG2 ARG 33 HG3 ARG 33 -6.272 9.704 2.076 255 HG3 ARG 33 HG2 ARG 33 -7.937 10.287 2.046 256 HD2 ARG 33 HD3 ARG 33 -7.026 10.464 -0.197 257 HD3 ARG 33 HD2 ARG 33 -7.212 12.090 0.458 258 HE ARG 33 HE ARG 33 -4.568 11.085 1.007 259 HH11 ARG 33 HH21 ARG 33 -6.646 12.316 -1.454 260 HH12 ARG 33 HH22 ARG 33 -5.354 12.978 -2.400 261 HH21 ARG 33 HH11 ARG 33 -2.870 11.943 -0.213 262 HH22 ARG 33 HH12 ARG 33 -3.215 12.767 -1.696 263 H ASP 34 H ASP 34 -7.470 8.603 4.688 264 HA ASP 34 HA ASP 34 -4.672 7.815 5.374 265 HB2 ASP 34 HB2 ASP 34 -5.729 5.780 6.356 266 HB3 ASP 34 HB3 ASP 34 -6.306 7.267 7.108 267 H VAL 35 H VAL 35 -3.657 6.206 4.167 268 HA VAL 35 HA VAL 35 -5.156 5.267 1.755 269 HB VAL 35 HB VAL 35 -2.159 5.603 2.069 270 HG11 VAL 35 HG21 VAL 35 -2.025 5.104 -0.244 271 HG12 VAL 35 HG22 VAL 35 -3.759 5.326 -0.477 272 HG13 VAL 35 HG23 VAL 35 -3.161 3.914 0.392 273 HG21 VAL 35 HG13 VAL 35 -4.325 7.420 1.037 274 HG22 VAL 35 HG11 VAL 35 -2.707 7.500 0.341 275 HG23 VAL 35 HG12 VAL 35 -2.945 7.813 2.062 276 H PHE 36 H PHE 36 -5.359 3.080 1.514 277 HA PHE 36 HA PHE 36 -3.874 1.358 3.449 278 HB2 PHE 36 HB3 PHE 36 -6.370 0.717 1.847 279 HB3 PHE 36 HB2 PHE 36 -5.649 -0.285 3.108 280 HD1 PHE 36 HD1 PHE 36 -5.438 0.710 5.467 281 HD2 PHE 36 HD2 PHE 36 -7.908 2.420 2.398 282 HE1 PHE 36 HE1 PHE 36 -6.716 1.953 7.191 283 HE2 PHE 36 HE2 PHE 36 -9.187 3.664 4.121 284 HZ PHE 36 HZ PHE 36 -8.592 3.430 6.518 285 H TYR 37 H TYR 37 -2.796 -0.516 2.667 286 HA TYR 37 HA TYR 37 -2.336 -0.506 -0.290 287 HB2 TYR 37 HB3 TYR 37 -0.481 -1.136 2.015 288 HB3 TYR 37 HB2 TYR 37 -0.113 -1.598 0.352 289 HD1 TYR 37 HD2 TYR 37 -0.837 1.298 2.573 290 HD2 TYR 37 HD1 TYR 37 0.654 0.002 -1.241 291 HE1 TYR 37 HE2 TYR 37 -0.015 3.592 2.115 292 HE2 TYR 37 HE1 TYR 37 1.476 2.296 -1.699 293 HH TYR 37 HH TYR 37 0.793 4.971 0.523 294 H TYR 38 H TYR 38 -2.281 -2.542 -1.341 295 HA TYR 38 HA TYR 38 -3.124 -4.871 0.335 296 HB2 TYR 38 HB3 TYR 38 -4.209 -4.095 -2.392 297 HB3 TYR 38 HB2 TYR 38 -4.635 -5.556 -1.502 298 HD1 TYR 38 HD2 TYR 38 -4.948 -1.886 -1.620 299 HD2 TYR 38 HD1 TYR 38 -6.040 -5.466 0.487 300 HE1 TYR 38 HE2 TYR 38 -6.678 -0.622 -0.371 301 HE2 TYR 38 HE1 TYR 38 -7.770 -4.202 1.737 302 HH TYR 38 HH TYR 38 -8.527 -0.849 0.944 303 H SER 39 H SER 39 -2.204 -6.848 -0.266 304 HA SER 39 HA SER 39 0.009 -6.655 -2.241 305 HB2 SER 39 HB3 SER 39 1.127 -8.065 -0.872 306 HB3 SER 39 HB2 SER 39 -0.172 -7.816 0.291 307 HG SER 39 HG SER 39 -1.211 -9.613 -0.527 308 HA PRO 40 HA PRO 40 -1.589 -9.344 -5.334 309 HB2 PRO 40 HB3 PRO 40 0.193 -11.579 -4.489 310 HB3 PRO 40 HB2 PRO 40 0.027 -10.806 -6.076 311 HG2 PRO 40 HG3 PRO 40 2.134 -10.334 -4.538 312 HG3 PRO 40 HG2 PRO 40 1.404 -9.052 -5.518 313 HD2 PRO 40 HD3 PRO 40 1.198 -9.497 -2.556 314 HD3 PRO 40 HD2 PRO 40 1.243 -7.969 -3.463 315 H SER 41 H SER 41 -1.312 -10.807 -2.139 316 HA SER 41 HA SER 41 -3.356 -12.839 -2.781 317 HB2 SER 41 HB3 SER 41 -2.962 -13.658 -0.523 318 HB3 SER 41 HB2 SER 41 -1.407 -13.371 -1.300 319 HG SER 41 HG SER 41 -1.608 -11.200 -0.275 320 H GLY 42 H GLY 42 -3.445 -9.627 -2.093 321 HA2 GLY 42 HA2 GLY 42 -5.377 -8.320 -1.629 322 HA3 GLY 42 HA3 GLY 42 -6.233 -9.795 -1.179 323 H LYS 43 H LYS 43 -3.128 -9.393 0.241 324 HA LYS 43 HA LYS 43 -4.246 -9.333 2.905 325 HB2 LYS 43 HB3 LYS 43 -2.069 -10.385 2.433 326 HB3 LYS 43 HB2 LYS 43 -1.407 -8.818 1.965 327 HG2 LYS 43 HG3 LYS 43 -1.895 -7.954 4.243 328 HG3 LYS 43 HG2 LYS 43 -2.478 -9.553 4.706 329 HD2 LYS 43 HD3 LYS 43 -0.325 -10.530 4.460 330 HD3 LYS 43 HD2 LYS 43 0.290 -9.136 3.572 331 HE2 LYS 43 HE3 LYS 43 1.115 -9.111 5.890 332 HE3 LYS 43 HE2 LYS 43 0.044 -7.741 5.600 333 HZ1 LYS 43 HZ1 LYS 43 -0.204 -9.661 7.563 334 HZ2 LYS 43 HZ2 LYS 43 -1.432 -10.009 6.442 335 HZ3 LYS 43 HZ3 LYS 43 -1.338 -8.467 7.151 336 H LYS 44 H LYS 44 -4.985 -7.553 3.949 337 HA LYS 44 HA LYS 44 -4.317 -4.881 2.867 338 HB2 LYS 44 HB3 LYS 44 -6.683 -5.449 3.394 339 HB3 LYS 44 HB2 LYS 44 -6.233 -5.661 5.087 340 HG2 LYS 44 HG3 LYS 44 -5.501 -3.324 5.211 341 HG3 LYS 44 HG2 LYS 44 -5.877 -3.100 3.501 342 HD2 LYS 44 HD3 LYS 44 -8.250 -3.629 3.958 343 HD3 LYS 44 HD2 LYS 44 -7.871 -3.820 5.670 344 HE2 LYS 44 HE3 LYS 44 -7.481 -1.282 4.057 345 HE3 LYS 44 HE2 LYS 44 -8.780 -1.571 5.213 346 HZ1 LYS 44 HZ1 LYS 44 -7.095 -1.887 6.938 347 HZ2 LYS 44 HZ2 LYS 44 -7.000 -0.338 6.244 348 HZ3 LYS 44 HZ3 LYS 44 -5.873 -1.533 5.816 349 H PHE 45 H PHE 45 -2.773 -3.633 3.805 350 HA PHE 45 HA PHE 45 -2.165 -4.039 6.689 351 HB2 PHE 45 HB3 PHE 45 0.323 -3.772 5.981 352 HB3 PHE 45 HB2 PHE 45 -0.438 -5.347 5.762 353 HD1 PHE 45 HD2 PHE 45 -1.384 -5.950 3.486 354 HD2 PHE 45 HD1 PHE 45 1.132 -2.530 4.124 355 HE1 PHE 45 HE2 PHE 45 -0.917 -5.839 1.052 356 HE2 PHE 45 HE1 PHE 45 1.599 -2.418 1.692 357 HZ PHE 45 HZ PHE 45 0.574 -4.073 0.156 358 H ARG 46 H ARG 46 -1.408 -2.139 7.715 359 HA ARG 46 HA ARG 46 -1.080 0.275 6.003 360 HB2 ARG 46 HB3 ARG 46 -2.442 1.493 7.856 361 HB3 ARG 46 HB2 ARG 46 -3.328 0.568 6.642 362 HG2 ARG 46 HG3 ARG 46 -3.572 -1.306 8.141 363 HG3 ARG 46 HG2 ARG 46 -2.486 -0.569 9.320 364 HD2 ARG 46 HD3 ARG 46 -5.092 0.696 8.437 365 HD3 ARG 46 HD2 ARG 46 -4.940 -0.321 9.869 366 HE ARG 46 HE ARG 46 -3.415 1.382 10.815 367 HH11 ARG 46 HH21 ARG 46 -5.165 2.139 7.941 368 HH12 ARG 46 HH22 ARG 46 -5.013 3.854 8.142 369 HH21 ARG 46 HH11 ARG 46 -3.206 3.616 11.092 370 HH22 ARG 46 HH12 ARG 46 -3.904 4.689 9.925 371 H SER 47 H SER 47 1.141 -0.782 6.906 372 HA SER 47 HA SER 47 1.983 1.049 9.058 373 HB2 SER 47 HB3 SER 47 2.707 -1.850 9.382 374 HB3 SER 47 HB2 SER 47 2.692 -0.568 10.591 375 HG SER 47 HG SER 47 0.570 -0.785 10.813 376 H LYS 48 H LYS 48 4.019 1.782 8.612 377 HA LYS 48 HA LYS 48 5.362 1.057 6.204 378 HB2 LYS 48 HB3 LYS 48 5.686 2.987 8.260 379 HB3 LYS 48 HB2 LYS 48 7.222 2.129 8.121 380 HG2 LYS 48 HG3 LYS 48 5.721 3.234 5.735 381 HG3 LYS 48 HG2 LYS 48 6.982 4.130 6.582 382 HD2 LYS 48 HD3 LYS 48 8.667 2.674 5.897 383 HD3 LYS 48 HD2 LYS 48 7.548 1.331 5.659 384 HE2 LYS 48 HE3 LYS 48 8.450 2.415 3.529 385 HE3 LYS 48 HE2 LYS 48 6.695 2.271 3.636 386 HZ1 LYS 48 HZ1 LYS 48 7.314 4.660 4.845 387 HZ2 LYS 48 HZ2 LYS 48 6.610 4.448 3.314 388 HZ3 LYS 48 HZ3 LYS 48 8.295 4.611 3.464 389 HA PRO 49 HA PRO 49 8.304 -1.384 9.337 390 HB2 PRO 49 HB3 PRO 49 6.135 -2.240 11.194 391 HB3 PRO 49 HB2 PRO 49 7.811 -1.777 11.550 392 HG2 PRO 49 HG3 PRO 49 5.788 -0.150 12.108 393 HG3 PRO 49 HG2 PRO 49 7.339 0.472 11.520 394 HD2 PRO 49 HD3 PRO 49 4.748 0.157 10.033 395 HD3 PRO 49 HD2 PRO 49 5.984 1.424 9.878 396 H GLN 50 H GLN 50 4.898 -2.426 9.011 397 HA GLN 50 HA GLN 50 5.489 -5.206 8.633 398 HB2 GLN 50 HB3 GLN 50 3.131 -3.513 7.763 399 HB3 GLN 50 HB2 GLN 50 3.192 -5.266 7.578 400 HG2 GLN 50 HG2 GLN 50 3.549 -3.825 10.221 401 HG3 GLN 50 HG3 GLN 50 2.026 -4.530 9.676 402 HE21 GLN 50 HE21 GLN 50 1.797 -6.832 9.783 403 HE22 GLN 50 HE22 GLN 50 2.986 -7.848 10.442 404 H LEU 51 H LEU 51 5.250 -2.472 6.394 405 HA LEU 51 HA LEU 51 5.325 -3.973 3.967 406 HB2 LEU 51 HB2 LEU 51 6.020 -1.163 4.746 407 HB3 LEU 51 HB3 LEU 51 6.516 -1.749 3.158 408 HG LEU 51 HG LEU 51 3.683 -1.961 4.209 409 HD11 LEU 51 HD11 LEU 51 5.028 0.144 2.500 410 HD12 LEU 51 HD12 LEU 51 4.114 0.382 3.989 411 HD13 LEU 51 HD13 LEU 51 3.280 -0.095 2.510 412 HD21 LEU 51 HD21 LEU 51 3.778 -1.927 1.403 413 HD22 LEU 51 HD22 LEU 51 3.481 -3.333 2.427 414 HD23 LEU 51 HD23 LEU 51 5.120 -2.965 1.887 415 H ALA 52 H ALA 52 7.947 -2.616 5.967 416 HA ALA 52 HA ALA 52 10.022 -3.668 4.211 417 HB1 ALA 52 HB1 ALA 52 11.566 -2.939 6.000 418 HB2 ALA 52 HB2 ALA 52 10.188 -2.621 7.055 419 HB3 ALA 52 HB3 ALA 52 10.418 -1.663 5.593 420 H ARG 53 H ARG 53 8.732 -4.571 7.418 421 HA ARG 53 HA ARG 53 10.421 -6.766 7.938 422 HB2 ARG 53 HB3 ARG 53 8.520 -5.714 9.384 423 HB3 ARG 53 HB2 ARG 53 7.478 -6.882 8.569 424 HG2 ARG 53 HG3 ARG 53 8.154 -8.133 10.406 425 HG3 ARG 53 HG2 ARG 53 9.399 -8.576 9.238 426 HD2 ARG 53 HD3 ARG 53 10.434 -7.987 11.383 427 HD3 ARG 53 HD2 ARG 53 10.870 -6.801 10.154 428 HE ARG 53 HE ARG 53 8.502 -6.056 11.695 429 HH11 ARG 53 HH21 ARG 53 11.940 -6.059 11.455 430 HH12 ARG 53 HH22 ARG 53 12.146 -4.668 12.466 431 HH21 ARG 53 HH11 ARG 53 8.749 -4.238 13.016 432 HH22 ARG 53 HH12 ARG 53 10.338 -3.636 13.349 433 H TYR 54 H TYR 54 7.785 -6.460 5.663 434 HA TYR 54 HA TYR 54 7.812 -9.386 5.153 435 HB2 TYR 54 HB3 TYR 54 5.628 -8.159 5.342 436 HB3 TYR 54 HB2 TYR 54 6.068 -7.249 3.895 437 HD1 TYR 54 HD1 TYR 54 5.398 -10.666 5.205 438 HD2 TYR 54 HD2 TYR 54 5.879 -8.205 1.718 439 HE1 TYR 54 HE1 TYR 54 4.577 -12.523 3.782 440 HE2 TYR 54 HE2 TYR 54 5.056 -10.061 0.294 441 HH TYR 54 HH TYR 54 4.978 -13.131 1.144 442 H LEU 55 H LEU 55 8.092 -6.332 3.298 443 HA LEU 55 HA LEU 55 9.518 -7.885 1.183 444 HB2 LEU 55 HB2 LEU 55 7.382 -6.331 0.808 445 HB3 LEU 55 HB3 LEU 55 8.614 -5.069 0.746 446 HG LEU 55 HG LEU 55 9.837 -6.732 -0.879 447 HD11 LEU 55 HD11 LEU 55 7.009 -7.526 -1.516 448 HD12 LEU 55 HD12 LEU 55 7.928 -8.445 -0.325 449 HD13 LEU 55 HD13 LEU 55 8.516 -8.314 -1.982 450 HD21 LEU 55 HD21 LEU 55 7.417 -5.034 -1.525 451 HD22 LEU 55 HD22 LEU 55 8.402 -5.776 -2.785 452 HD23 LEU 55 HD23 LEU 55 9.119 -4.602 -1.681 453 H GLY 56 H GLY 56 10.125 -5.889 3.784 454 HA2 GLY 56 HA2 GLY 56 12.102 -4.094 2.779 455 HA3 GLY 56 HA3 GLY 56 12.021 -4.672 4.444 456 H GLY 57 H GLY 57 12.108 -7.410 2.657 457 HA2 GLY 57 HA2 GLY 57 15.049 -7.652 3.041 458 HA3 GLY 57 HA3 GLY 57 13.926 -9.003 2.886 459 H SER 58 H SER 58 12.558 -8.509 0.610 460 HA SER 58 HA SER 58 14.580 -8.959 -1.444 461 HB2 SER 58 HB3 SER 58 11.607 -8.564 -1.853 462 HB3 SER 58 HB2 SER 58 12.734 -9.407 -2.912 463 HG SER 58 HG SER 58 11.342 -10.649 -1.328 464 H MET 59 H MET 59 13.139 -6.202 -0.110 465 HA MET 59 HA MET 59 14.344 -4.507 -2.169 466 HB2 MET 59 HB3 MET 59 12.045 -5.118 -3.064 467 HB3 MET 59 HB2 MET 59 11.366 -4.257 -1.684 468 HG2 MET 59 HG3 MET 59 12.637 -2.222 -2.381 469 HG3 MET 59 HG2 MET 59 13.174 -3.091 -3.818 470 HE1 MET 59 HE1 MET 59 11.865 -4.243 -5.299 471 HE2 MET 59 HE2 MET 59 10.414 -3.588 -6.054 472 HE3 MET 59 HE3 MET 59 10.265 -4.750 -4.738 473 H ASP 60 H ASP 60 14.535 -2.307 -1.439 474 HA ASP 60 HA ASP 60 14.306 -2.058 1.499 475 HB2 ASP 60 HB2 ASP 60 16.417 -1.399 0.377 476 HB3 ASP 60 HB3 ASP 60 15.535 -0.177 -0.541 477 H LEU 61 H LEU 61 12.345 -1.351 2.208 478 HA LEU 61 HA LEU 61 10.780 0.517 0.523 479 HB2 LEU 61 HB2 LEU 61 10.168 -1.135 2.971 480 HB3 LEU 61 HB3 LEU 61 9.086 0.160 2.456 481 HG LEU 61 HG LEU 61 8.497 -2.119 1.535 482 HD11 LEU 61 HD11 LEU 61 8.210 0.300 0.414 483 HD12 LEU 61 HD12 LEU 61 7.702 -1.174 -0.411 484 HD13 LEU 61 HD13 LEU 61 9.253 -0.431 -0.806 485 HD21 LEU 61 HD21 LEU 61 10.917 -1.706 -0.231 486 HD22 LEU 61 HD22 LEU 61 9.893 -3.136 -0.109 487 HD23 LEU 61 HD23 LEU 61 10.975 -2.711 1.217 488 H SER 62 H SER 62 13.153 0.782 2.810 489 HA SER 62 HA SER 62 12.204 2.737 4.630 490 HB2 SER 62 HB3 SER 62 14.556 3.367 4.911 491 HB3 SER 62 HB2 SER 62 14.415 1.615 4.809 492 HG SER 62 HG SER 62 16.075 2.709 3.461 493 H THR 63 H THR 63 13.419 3.065 1.315 494 HA THR 63 HA THR 63 13.083 6.001 1.443 495 HB THR 63 HB THR 63 14.073 6.016 -0.779 496 HG1 THR 63 HG1 THR 63 13.088 3.520 -0.803 497 HG21 THR 63 HG21 THR 63 15.521 5.626 1.273 498 HG22 THR 63 HG22 THR 63 16.227 5.111 -0.260 499 HG23 THR 63 HG23 THR 63 15.530 3.917 0.836 500 H PHE 64 H PHE 64 10.941 3.637 1.264 501 HA PHE 64 HA PHE 64 9.458 4.514 -1.129 502 HB2 PHE 64 HB3 PHE 64 9.405 2.139 -0.568 503 HB3 PHE 64 HB2 PHE 64 8.793 2.505 1.046 504 HD1 PHE 64 HD2 PHE 64 7.961 3.392 -2.512 505 HD2 PHE 64 HD1 PHE 64 6.509 2.229 1.359 506 HE1 PHE 64 HE2 PHE 64 5.640 3.380 -3.387 507 HE2 PHE 64 HE1 PHE 64 4.187 2.216 0.484 508 HZ PHE 64 HZ PHE 64 3.753 2.793 -1.888 509 H ASP 65 H ASP 65 7.802 5.981 -1.085 510 HA ASP 65 HA ASP 65 7.248 7.348 1.460 511 HB2 ASP 65 HB2 ASP 65 7.559 8.559 -0.741 512 HB3 ASP 65 HB3 ASP 65 6.015 7.878 -1.256 513 H PHE 66 H PHE 66 5.771 6.389 2.782 514 HA PHE 66 HA PHE 66 3.697 4.626 1.737 515 HB2 PHE 66 HB3 PHE 66 4.773 4.278 3.961 516 HB3 PHE 66 HB2 PHE 66 4.022 5.769 4.528 517 HD1 PHE 66 HD2 PHE 66 3.260 2.406 3.100 518 HD2 PHE 66 HD1 PHE 66 1.783 5.791 5.293 519 HE1 PHE 66 HE2 PHE 66 1.176 1.163 3.616 520 HE2 PHE 66 HE1 PHE 66 -0.301 4.549 5.809 521 HZ PHE 66 HZ PHE 66 -0.604 2.234 4.970 522 H ARG 67 H ARG 67 3.804 7.909 3.102 523 HA ARG 67 HA ARG 67 0.976 8.335 3.146 524 HB2 ARG 67 HB3 ARG 67 2.666 9.792 4.287 525 HB3 ARG 67 HB2 ARG 67 3.145 10.409 2.705 526 HG2 ARG 67 HG3 ARG 67 1.573 12.002 3.382 527 HG3 ARG 67 HG2 ARG 67 0.583 10.901 2.423 528 HD2 ARG 67 HD3 ARG 67 -0.469 11.477 4.614 529 HD3 ARG 67 HD2 ARG 67 -0.162 9.749 4.441 530 HE ARG 67 HE ARG 67 1.986 11.241 5.779 531 HH11 ARG 67 HH21 ARG 67 -0.942 9.434 6.010 532 HH12 ARG 67 HH22 ARG 67 -0.679 8.965 7.655 533 HH21 ARG 67 HH11 ARG 67 2.346 10.637 7.927 534 HH22 ARG 67 HH12 ARG 67 1.182 9.646 8.741 535 H THR 68 H THR 68 3.427 8.959 0.637 536 HA THR 68 HA THR 68 1.273 9.801 -1.225 537 HB THR 68 HB THR 68 3.029 10.593 -2.659 538 HG1 THR 68 HG1 THR 68 4.326 8.569 -1.784 539 HG21 THR 68 HG21 THR 68 4.385 11.998 -1.076 540 HG22 THR 68 HG22 THR 68 3.699 11.070 0.255 541 HG23 THR 68 HG23 THR 68 2.651 12.052 -0.767 542 H GLY 69 H GLY 69 3.056 7.022 -0.369 543 HA2 GLY 69 HA2 GLY 69 3.111 4.872 -1.306 544 HA3 GLY 69 HA3 GLY 69 1.724 5.366 -2.279 545 H LYS 70 H LYS 70 4.995 6.764 -2.243 546 HA LYS 70 HA LYS 70 5.359 5.784 -5.038 547 HB2 LYS 70 HB3 LYS 70 5.729 8.617 -4.027 548 HB3 LYS 70 HB2 LYS 70 6.346 8.046 -5.578 549 HG2 LYS 70 HG3 LYS 70 4.055 7.423 -6.261 550 HG3 LYS 70 HG2 LYS 70 3.439 8.008 -4.716 551 HD2 LYS 70 HD3 LYS 70 4.271 10.269 -5.229 552 HD3 LYS 70 HD2 LYS 70 4.905 9.689 -6.769 553 HE2 LYS 70 HE3 LYS 70 2.629 9.067 -7.480 554 HE3 LYS 70 HE2 LYS 70 1.989 9.638 -5.940 555 HZ1 LYS 70 HZ1 LYS 70 2.060 11.736 -6.629 556 HZ2 LYS 70 HZ2 LYS 70 2.321 11.133 -8.196 557 HZ3 LYS 70 HZ3 LYS 70 3.641 11.585 -7.225 558 H MET 71 H MET 71 7.551 5.420 -5.614 559 HA MET 71 HA MET 71 9.351 5.096 -3.293 560 HB2 MET 71 HB3 MET 71 9.060 3.274 -4.997 561 HB3 MET 71 HB2 MET 71 9.809 4.333 -6.193 562 HG2 MET 71 HG3 MET 71 11.876 4.395 -4.955 563 HG3 MET 71 HG2 MET 71 11.138 3.577 -3.579 564 HE1 MET 71 HE1 MET 71 10.026 1.418 -3.664 565 HE2 MET 71 HE2 MET 71 11.685 1.029 -3.217 566 HE3 MET 71 HE3 MET 71 10.831 0.011 -4.373 567 H LEU 72 H LEU 72 10.895 6.583 -2.829 568 HA LEU 72 HA LEU 72 12.318 8.013 -4.936 569 HB2 LEU 72 HB2 LEU 72 11.591 10.233 -4.433 570 HB3 LEU 72 HB3 LEU 72 10.117 9.280 -4.617 571 HG LEU 72 HG LEU 72 10.596 8.918 -1.967 572 HD11 LEU 72 HD11 LEU 72 12.538 10.658 -2.410 573 HD12 LEU 72 HD12 LEU 72 11.562 10.771 -0.945 574 HD13 LEU 72 HD13 LEU 72 11.225 11.831 -2.314 575 HD21 LEU 72 HD21 LEU 72 8.461 9.615 -2.895 576 HD22 LEU 72 HD22 LEU 72 9.118 11.194 -3.323 577 HD23 LEU 72 HD23 LEU 72 8.911 10.756 -1.628 Start of MODEL 19 1 H1 GLY 1 H1 GLY 1 -24.515 9.949 -3.533 2 H2 GLY 1 H2 GLY 1 -25.310 9.257 -4.864 3 H3 GLY 1 H3 GLY 1 -23.693 8.854 -4.537 4 HA2 GLY 1 HA2 GLY 1 -26.078 8.268 -2.729 5 HA3 GLY 1 HA3 GLY 1 -25.171 7.109 -3.747 6 H SER 2 H SER 2 -22.611 7.659 -3.698 7 HA SER 2 HA SER 2 -21.873 6.583 -1.106 8 HB2 SER 2 HB3 SER 2 -21.329 4.327 -1.777 9 HB3 SER 2 HB2 SER 2 -23.010 4.619 -2.214 10 HG SER 2 HG SER 2 -22.260 5.110 -4.333 11 H MET 3 H MET 3 -19.782 7.191 -0.817 12 HA MET 3 HA MET 3 -18.234 8.128 -3.136 13 HB2 MET 3 HB3 MET 3 -16.604 8.877 -1.446 14 HB3 MET 3 HB2 MET 3 -18.227 9.422 -1.027 15 HG2 MET 3 HG3 MET 3 -18.315 7.144 0.305 16 HG3 MET 3 HG2 MET 3 -16.558 7.282 0.250 17 HE1 MET 3 HE1 MET 3 -19.757 9.412 0.722 18 HE2 MET 3 HE2 MET 3 -19.607 9.908 2.405 19 HE3 MET 3 HE3 MET 3 -19.741 8.197 2.007 20 H GLU 4 H GLU 4 -16.873 6.801 -4.225 21 HA GLU 4 HA GLU 4 -16.058 4.246 -2.945 22 HB2 GLU 4 HB3 GLU 4 -15.982 5.223 -5.812 23 HB3 GLU 4 HB2 GLU 4 -15.280 3.691 -5.293 24 HG2 GLU 4 HG2 GLU 4 -17.454 2.925 -4.481 25 HG3 GLU 4 HG3 GLU 4 -18.177 4.485 -4.881 26 H ARG 5 H ARG 5 -13.871 3.712 -2.661 27 HA ARG 5 HA ARG 5 -12.034 5.937 -2.370 28 HB2 ARG 5 HB3 ARG 5 -10.369 4.074 -1.879 29 HB3 ARG 5 HB2 ARG 5 -11.795 4.102 -0.840 30 HG2 ARG 5 HG3 ARG 5 -12.322 2.551 -3.228 31 HG3 ARG 5 HG2 ARG 5 -10.886 1.943 -2.403 32 HD2 ARG 5 HD3 ARG 5 -13.498 2.517 -0.984 33 HD3 ARG 5 HD2 ARG 5 -13.063 0.926 -1.608 34 HE ARG 5 HE ARG 5 -10.921 1.839 0.023 35 HH11 ARG 5 HH21 ARG 5 -14.236 0.908 0.191 36 HH12 ARG 5 HH22 ARG 5 -14.124 0.314 1.815 37 HH21 ARG 5 HH11 ARG 5 -10.756 1.068 2.140 38 HH22 ARG 5 HH12 ARG 5 -12.154 0.404 2.918 39 H LYS 6 H LYS 6 -9.749 5.707 -3.395 40 HA LYS 6 HA LYS 6 -10.100 5.022 -6.286 41 HB2 LYS 6 HB3 LYS 6 -8.022 6.719 -6.358 42 HB3 LYS 6 HB2 LYS 6 -9.691 7.286 -6.410 43 HG2 LYS 6 HG3 LYS 6 -8.459 6.849 -3.725 44 HG3 LYS 6 HG2 LYS 6 -7.948 8.266 -4.641 45 HD2 LYS 6 HD3 LYS 6 -10.411 8.800 -4.973 46 HD3 LYS 6 HD2 LYS 6 -10.760 7.539 -3.791 47 HE2 LYS 6 HE3 LYS 6 -8.909 9.875 -3.251 48 HE3 LYS 6 HE2 LYS 6 -10.615 9.855 -2.805 49 HZ1 LYS 6 HZ1 LYS 6 -8.786 7.690 -1.979 50 HZ2 LYS 6 HZ2 LYS 6 -10.285 8.126 -1.311 51 HZ3 LYS 6 HZ3 LYS 6 -8.926 9.114 -1.070 52 H ARG 7 H ARG 7 -9.068 3.109 -6.645 53 HA ARG 7 HA ARG 7 -6.636 2.455 -5.083 54 HB2 ARG 7 HB3 ARG 7 -8.170 0.798 -7.110 55 HB3 ARG 7 HB2 ARG 7 -6.865 0.218 -6.076 56 HG2 ARG 7 HG3 ARG 7 -8.208 0.788 -4.075 57 HG3 ARG 7 HG2 ARG 7 -9.521 1.328 -5.121 58 HD2 ARG 7 HD3 ARG 7 -8.358 -1.471 -5.167 59 HD3 ARG 7 HD2 ARG 7 -9.817 -1.021 -4.282 60 HE ARG 7 HE ARG 7 -10.172 -0.165 -6.956 61 HH11 ARG 7 HH21 ARG 7 -9.714 -3.047 -5.119 62 HH12 ARG 7 HH22 ARG 7 -10.618 -4.045 -6.210 63 HH21 ARG 7 HH11 ARG 7 -11.355 -1.452 -8.390 64 HH22 ARG 7 HH12 ARG 7 -11.547 -3.141 -8.061 65 H TRP 8 H TRP 8 -4.767 3.253 -5.924 66 HA TRP 8 HA TRP 8 -4.501 3.392 -8.894 67 HB2 TRP 8 HB3 TRP 8 -2.802 4.698 -6.747 68 HB3 TRP 8 HB2 TRP 8 -2.668 4.964 -8.486 69 HD1 TRP 8 HD1 TRP 8 -5.694 5.213 -9.241 70 HE1 TRP 8 HE1 TRP 8 -7.054 7.270 -8.490 71 HE3 TRP 8 HE3 TRP 8 -2.825 6.783 -5.319 72 HZ2 TRP 8 HZ2 TRP 8 -6.940 9.313 -6.489 73 HZ3 TRP 8 HZ3 TRP 8 -3.472 8.785 -4.011 74 HH2 TRP 8 HH2 TRP 8 -5.524 10.051 -4.590 75 H GLU 9 H GLU 9 -2.390 2.711 -9.799 76 HA GLU 9 HA GLU 9 -1.533 0.176 -8.642 77 HB2 GLU 9 HB3 GLU 9 -0.565 1.770 -11.031 78 HB3 GLU 9 HB2 GLU 9 0.080 0.190 -10.587 79 HG2 GLU 9 HG2 GLU 9 -2.155 -0.806 -10.795 80 HG3 GLU 9 HG3 GLU 9 -2.834 0.773 -11.193 81 H CYS 10 H CYS 10 0.368 -0.230 -7.527 82 HA CYS 10 HA CYS 10 1.986 2.170 -6.800 83 HB2 CYS 10 HB3 CYS 10 0.786 0.539 -5.081 84 HB3 CYS 10 HB2 CYS 10 2.228 -0.438 -5.348 85 HG CYS 10 HG CYS 10 2.658 2.544 -4.593 86 HA PRO 11 HA PRO 11 4.870 0.029 -9.568 87 HB2 PRO 11 HB3 PRO 11 6.462 2.218 -9.978 88 HB3 PRO 11 HB2 PRO 11 4.946 1.936 -10.854 89 HG2 PRO 11 HG3 PRO 11 5.502 3.742 -8.564 90 HG3 PRO 11 HG2 PRO 11 4.433 3.975 -9.956 91 HD2 PRO 11 HD3 PRO 11 3.561 3.272 -7.455 92 HD3 PRO 11 HD2 PRO 11 2.662 2.895 -8.941 93 H ALA 12 H ALA 12 5.365 1.500 -6.503 94 HA ALA 12 HA ALA 12 8.236 0.916 -6.366 95 HB1 ALA 12 HB1 ALA 12 7.989 1.608 -3.985 96 HB2 ALA 12 HB2 ALA 12 6.247 1.743 -4.229 97 HB3 ALA 12 HB3 ALA 12 7.346 2.812 -5.101 98 H LEU 13 H LEU 13 5.274 -0.755 -5.764 99 HA LEU 13 HA LEU 13 6.681 -2.809 -4.131 100 HB2 LEU 13 HB2 LEU 13 3.764 -2.238 -4.677 101 HB3 LEU 13 HB3 LEU 13 4.296 -3.744 -3.928 102 HG LEU 13 HG LEU 13 3.675 -2.022 -2.240 103 HD11 LEU 13 HD11 LEU 13 5.389 -2.623 -0.820 104 HD12 LEU 13 HD12 LEU 13 6.642 -2.259 -2.006 105 HD13 LEU 13 HD13 LEU 13 5.715 -3.755 -2.131 106 HD21 LEU 13 HD21 LEU 13 4.742 0.053 -2.106 107 HD22 LEU 13 HD22 LEU 13 4.623 -0.167 -3.852 108 HD23 LEU 13 HD23 LEU 13 6.144 -0.495 -3.024 109 HA PRO 14 HA PRO 14 7.145 -5.769 -7.336 110 HB2 PRO 14 HB3 PRO 14 5.534 -7.667 -5.695 111 HB3 PRO 14 HB2 PRO 14 7.166 -7.858 -6.364 112 HG2 PRO 14 HG3 PRO 14 6.777 -7.396 -3.774 113 HG3 PRO 14 HG2 PRO 14 8.153 -6.701 -4.646 114 HD2 PRO 14 HD3 PRO 14 5.655 -5.351 -3.708 115 HD3 PRO 14 HD2 PRO 14 7.300 -4.700 -3.874 116 H GLN 15 H GLN 15 6.021 -6.507 -9.163 117 HA GLN 15 HA GLN 15 3.548 -5.440 -9.857 118 HB2 GLN 15 HB3 GLN 15 4.811 -8.046 -10.752 119 HB3 GLN 15 HB2 GLN 15 3.392 -7.335 -11.524 120 HG2 GLN 15 HG2 GLN 15 4.666 -5.293 -12.024 121 HG3 GLN 15 HG3 GLN 15 6.084 -5.969 -11.221 122 HE21 GLN 15 HE21 GLN 15 6.708 -5.399 -13.734 123 HE22 GLN 15 HE22 GLN 15 6.641 -6.745 -14.765 124 H GLY 16 H GLY 16 1.530 -5.764 -9.064 125 HA2 GLY 16 HA2 GLY 16 -0.224 -7.582 -8.749 126 HA3 GLY 16 HA3 GLY 16 0.967 -8.378 -7.720 127 H TRP 17 H TRP 17 1.799 -5.593 -6.752 128 HA TRP 17 HA TRP 17 -0.142 -5.490 -4.544 129 HB2 TRP 17 HB3 TRP 17 2.428 -3.994 -5.114 130 HB3 TRP 17 HB2 TRP 17 1.425 -3.682 -3.697 131 HD1 TRP 17 HD1 TRP 17 2.746 -6.912 -5.393 132 HE1 TRP 17 HE1 TRP 17 3.687 -8.448 -3.548 133 HE3 TRP 17 HE3 TRP 17 1.905 -3.985 -1.293 134 HZ2 TRP 17 HZ2 TRP 17 4.035 -8.438 -0.709 135 HZ3 TRP 17 HZ3 TRP 17 2.551 -4.771 0.967 136 HH2 TRP 17 HH2 TRP 17 3.614 -6.991 1.264 137 H GLU 18 H GLU 18 -1.466 -3.681 -4.082 138 HA GLU 18 HA GLU 18 -1.600 -1.590 -6.211 139 HB2 GLU 18 HB3 GLU 18 -3.912 -3.122 -4.985 140 HB3 GLU 18 HB2 GLU 18 -4.102 -1.678 -5.982 141 HG2 GLU 18 HG2 GLU 18 -2.634 -4.164 -6.901 142 HG3 GLU 18 HG3 GLU 18 -4.334 -3.850 -7.250 143 H ARG 19 H ARG 19 -2.293 0.474 -5.458 144 HA ARG 19 HA ARG 19 -2.332 0.729 -2.477 145 HB2 ARG 19 HB3 ARG 19 -0.366 1.805 -3.437 146 HB3 ARG 19 HB2 ARG 19 -1.372 2.682 -4.590 147 HG2 ARG 19 HG3 ARG 19 -2.474 3.887 -2.775 148 HG3 ARG 19 HG2 ARG 19 -1.575 2.955 -1.577 149 HD2 ARG 19 HD3 ARG 19 0.552 3.854 -2.546 150 HD3 ARG 19 HD2 ARG 19 -0.411 4.875 -3.614 151 HE ARG 19 HE ARG 19 -0.066 5.247 -0.710 152 HH11 ARG 19 HH21 ARG 19 -1.757 5.967 -3.629 153 HH12 ARG 19 HH22 ARG 19 -2.397 7.467 -3.044 154 HH21 ARG 19 HH11 ARG 19 -0.893 7.203 0.068 155 HH22 ARG 19 HH12 ARG 19 -1.910 8.166 -0.951 156 H GLU 20 H GLU 20 -3.745 2.443 -1.630 157 HA GLU 20 HA GLU 20 -5.784 3.525 -3.464 158 HB2 GLU 20 HB3 GLU 20 -7.653 2.450 -2.484 159 HB3 GLU 20 HB2 GLU 20 -6.476 1.154 -2.703 160 HG2 GLU 20 HG2 GLU 20 -6.966 0.754 -0.499 161 HG3 GLU 20 HG3 GLU 20 -5.740 1.998 -0.249 162 H GLU 21 H GLU 21 -7.030 5.225 -2.455 163 HA GLU 21 HA GLU 21 -5.894 6.139 0.158 164 HB2 GLU 21 HB3 GLU 21 -5.242 7.571 -1.777 165 HB3 GLU 21 HB2 GLU 21 -6.950 7.859 -2.108 166 HG2 GLU 21 HG2 GLU 21 -7.239 8.880 0.097 167 HG3 GLU 21 HG3 GLU 21 -5.557 8.532 0.499 168 H VAL 22 H VAL 22 -7.375 6.458 1.766 169 HA VAL 22 HA VAL 22 -10.250 6.685 0.976 170 HB VAL 22 HB VAL 22 -8.963 4.859 2.998 171 HG11 VAL 22 HG21 VAL 22 -11.451 4.481 3.703 172 HG12 VAL 22 HG22 VAL 22 -11.704 6.103 3.059 173 HG13 VAL 22 HG23 VAL 22 -10.574 5.849 4.390 174 HG21 VAL 22 HG13 VAL 22 -11.353 4.153 1.368 175 HG22 VAL 22 HG11 VAL 22 -9.930 3.184 1.757 176 HG23 VAL 22 HG12 VAL 22 -9.847 4.403 0.485 177 HA PRO 23 HA PRO 23 -9.804 10.251 3.628 178 HB2 PRO 23 HB3 PRO 23 -12.380 11.124 3.381 179 HB3 PRO 23 HB2 PRO 23 -11.153 11.351 2.120 180 HG2 PRO 23 HG3 PRO 23 -13.352 9.361 2.285 181 HG3 PRO 23 HG2 PRO 23 -12.699 10.213 0.875 182 HD2 PRO 23 HD3 PRO 23 -12.085 7.606 1.502 183 HD3 PRO 23 HD2 PRO 23 -11.037 8.674 0.543 184 H ARG 24 H ARG 24 -9.822 10.114 5.835 185 HA ARG 24 HA ARG 24 -11.619 8.274 7.212 186 HB2 ARG 24 HB3 ARG 24 -9.146 9.463 7.780 187 HB3 ARG 24 HB2 ARG 24 -10.262 10.180 8.945 188 HG2 ARG 24 HG3 ARG 24 -10.009 7.202 8.431 189 HG3 ARG 24 HG2 ARG 24 -9.229 8.052 9.765 190 HD2 ARG 24 HD3 ARG 24 -11.167 7.402 10.834 191 HD3 ARG 24 HD2 ARG 24 -11.718 8.938 10.164 192 HE ARG 24 HE ARG 24 -13.091 7.735 8.652 193 HH11 ARG 24 HH21 ARG 24 -10.786 5.730 10.248 194 HH12 ARG 24 HH22 ARG 24 -11.479 4.250 9.674 195 HH21 ARG 24 HH11 ARG 24 -14.009 5.814 7.894 196 HH22 ARG 24 HH12 ARG 24 -13.305 4.298 8.342 197 H ARG 25 H ARG 25 -13.115 8.969 8.925 198 HA ARG 25 HA ARG 25 -14.030 11.789 8.735 199 HB2 ARG 25 HB3 ARG 25 -16.385 11.038 8.486 200 HB3 ARG 25 HB2 ARG 25 -15.397 10.566 7.101 201 HG2 ARG 25 HG3 ARG 25 -15.121 8.313 8.044 202 HG3 ARG 25 HG2 ARG 25 -16.073 8.776 9.454 203 HD2 ARG 25 HD3 ARG 25 -17.109 8.879 6.607 204 HD3 ARG 25 HD2 ARG 25 -17.396 7.535 7.713 205 HE ARG 25 HE ARG 25 -18.209 9.912 9.030 206 HH11 ARG 25 HH21 ARG 25 -18.978 7.961 6.293 207 HH12 ARG 25 HH22 ARG 25 -20.661 8.369 6.307 208 HH21 ARG 25 HH11 ARG 25 -20.403 10.456 9.064 209 HH22 ARG 25 HH12 ARG 25 -21.468 9.783 7.876 210 H SER 26 H SER 26 -15.004 12.523 10.653 211 HA SER 26 HA SER 26 -15.989 10.855 12.743 212 HB2 SER 26 HB3 SER 26 -14.017 10.038 13.527 213 HB3 SER 26 HB2 SER 26 -13.070 11.234 12.649 214 HG SER 26 HG SER 26 -13.582 11.201 15.203 215 H GLY 27 H GLY 27 -13.780 13.677 12.804 216 HA2 GLY 27 HA2 GLY 27 -15.791 15.665 13.031 217 HA3 GLY 27 HA3 GLY 27 -15.371 15.147 14.664 218 H LEU 28 H LEU 28 -13.152 15.433 15.374 219 HA LEU 28 HA LEU 28 -11.986 17.912 14.558 220 HB2 LEU 28 HB2 LEU 28 -10.828 15.587 16.122 221 HB3 LEU 28 HB3 LEU 28 -10.017 17.142 15.930 222 HG LEU 28 HG LEU 28 -12.801 16.816 17.084 223 HD11 LEU 28 HD11 LEU 28 -11.808 17.107 19.265 224 HD12 LEU 28 HD12 LEU 28 -10.215 17.377 18.561 225 HD13 LEU 28 HD13 LEU 28 -10.959 15.780 18.472 226 HD21 LEU 28 HD21 LEU 28 -12.714 19.027 16.406 227 HD22 LEU 28 HD22 LEU 28 -10.954 19.100 16.515 228 HD23 LEU 28 HD23 LEU 28 -11.935 19.184 17.980 229 H SER 29 H SER 29 -11.157 14.538 13.774 230 HA SER 29 HA SER 29 -9.150 15.541 11.817 231 HB2 SER 29 HB3 SER 29 -8.643 13.023 11.632 232 HB3 SER 29 HB2 SER 29 -8.223 13.811 13.151 233 HG SER 29 HG SER 29 -9.697 12.671 14.132 234 H ALA 30 H ALA 30 -12.088 15.743 11.418 235 HA ALA 30 HA ALA 30 -12.876 13.698 9.520 236 HB1 ALA 30 HB1 ALA 30 -13.962 16.475 10.076 237 HB2 ALA 30 HB2 ALA 30 -14.595 14.947 10.690 238 HB3 ALA 30 HB3 ALA 30 -14.717 15.325 8.971 239 H GLY 31 H GLY 31 -11.781 13.496 7.621 240 HA2 GLY 31 HA2 GLY 31 -11.709 14.608 5.338 241 HA3 GLY 31 HA3 GLY 31 -11.044 16.011 6.177 242 H HIS 32 H HIS 32 -9.737 13.584 7.853 243 HA HIS 32 HA HIS 32 -7.119 13.869 6.764 244 HB2 HIS 32 HB2 HIS 32 -8.358 11.802 8.588 245 HB3 HIS 32 HB3 HIS 32 -6.657 11.744 8.126 246 HD1 HIS 32 HD1 HIS 32 -5.790 12.341 10.490 247 HD2 HIS 32 HD2 HIS 32 -8.355 15.214 8.886 248 HE1 HIS 32 HE1 HIS 32 -5.603 14.384 11.980 249 HE2 HIS 32 HE2 HIS 32 -7.159 16.137 11.011 250 H ARG 33 H ARG 33 -5.857 12.340 5.533 251 HA ARG 33 HA ARG 33 -7.550 10.573 3.814 252 HB2 ARG 33 HB3 ARG 33 -4.823 11.672 3.101 253 HB3 ARG 33 HB2 ARG 33 -6.027 10.970 2.019 254 HG2 ARG 33 HG3 ARG 33 -6.608 13.454 3.636 255 HG3 ARG 33 HG2 ARG 33 -5.846 13.538 2.047 256 HD2 ARG 33 HD3 ARG 33 -8.465 12.114 2.583 257 HD3 ARG 33 HD2 ARG 33 -8.353 13.770 1.986 258 HE ARG 33 HE ARG 33 -7.731 11.331 0.453 259 HH11 ARG 33 HH21 ARG 33 -7.531 14.754 0.813 260 HH12 ARG 33 HH22 ARG 33 -7.246 15.049 -0.869 261 HH21 ARG 33 HH11 ARG 33 -7.362 11.696 -1.747 262 HH22 ARG 33 HH12 ARG 33 -7.151 13.318 -2.319 263 H ASP 34 H ASP 34 -7.334 8.510 4.565 264 HA ASP 34 HA ASP 34 -4.725 7.632 5.664 265 HB2 ASP 34 HB2 ASP 34 -7.461 6.332 5.575 266 HB3 ASP 34 HB3 ASP 34 -6.026 5.533 6.219 267 H VAL 35 H VAL 35 -3.459 6.061 4.662 268 HA VAL 35 HA VAL 35 -4.279 5.361 1.878 269 HB VAL 35 HB VAL 35 -1.512 5.364 3.126 270 HG11 VAL 35 HG21 VAL 35 -0.699 4.967 0.902 271 HG12 VAL 35 HG22 VAL 35 -2.301 5.205 0.207 272 HG13 VAL 35 HG23 VAL 35 -1.970 3.778 1.188 273 HG21 VAL 35 HG13 VAL 35 -2.718 7.302 1.129 274 HG22 VAL 35 HG11 VAL 35 -1.138 7.419 1.906 275 HG23 VAL 35 HG12 VAL 35 -2.608 7.627 2.859 276 H PHE 36 H PHE 36 -4.616 3.232 1.390 277 HA PHE 36 HA PHE 36 -3.681 1.202 3.380 278 HB2 PHE 36 HB3 PHE 36 -6.265 1.358 1.817 279 HB3 PHE 36 HB2 PHE 36 -5.703 -0.139 2.562 280 HD1 PHE 36 HD2 PHE 36 -6.787 3.343 3.225 281 HD2 PHE 36 HD1 PHE 36 -5.758 -0.455 4.948 282 HE1 PHE 36 HE2 PHE 36 -7.685 4.092 5.413 283 HE2 PHE 36 HE1 PHE 36 -6.654 0.294 7.136 284 HZ PHE 36 HZ PHE 36 -7.618 2.567 7.368 285 H TYR 37 H TYR 37 -2.822 -0.725 2.509 286 HA TYR 37 HA TYR 37 -2.361 -0.661 -0.447 287 HB2 TYR 37 HB3 TYR 37 -0.547 -1.511 1.820 288 HB3 TYR 37 HB2 TYR 37 -0.246 -1.979 0.146 289 HD1 TYR 37 HD1 TYR 37 -0.636 0.927 2.432 290 HD2 TYR 37 HD2 TYR 37 0.626 -0.424 -1.445 291 HE1 TYR 37 HE1 TYR 37 0.400 3.138 1.999 292 HE2 TYR 37 HE2 TYR 37 1.661 1.788 -1.880 293 HH TYR 37 HH TYR 37 2.503 3.875 0.271 294 H TYR 38 H TYR 38 -2.390 -2.717 -1.523 295 HA TYR 38 HA TYR 38 -3.594 -4.927 0.095 296 HB2 TYR 38 HB3 TYR 38 -4.203 -4.191 -2.785 297 HB3 TYR 38 HB2 TYR 38 -4.904 -5.547 -1.900 298 HD1 TYR 38 HD2 TYR 38 -5.771 -4.738 0.590 299 HD2 TYR 38 HD1 TYR 38 -5.588 -2.332 -2.964 300 HE1 TYR 38 HE2 TYR 38 -7.512 -3.236 1.517 301 HE2 TYR 38 HE1 TYR 38 -7.329 -0.830 -2.037 302 HH TYR 38 HH TYR 38 -8.090 -0.544 0.982 303 H SER 39 H SER 39 -2.714 -6.963 -0.237 304 HA SER 39 HA SER 39 -0.280 -7.063 -1.931 305 HB2 SER 39 HB3 SER 39 0.521 -8.487 -0.370 306 HB3 SER 39 HB2 SER 39 -0.900 -8.091 0.593 307 HG SER 39 HG SER 39 -1.952 -9.844 -0.279 308 HA PRO 40 HA PRO 40 -1.686 -9.758 -5.109 309 HB2 PRO 40 HB3 PRO 40 -0.281 -12.108 -3.930 310 HB3 PRO 40 HB2 PRO 40 -0.141 -11.406 -5.554 311 HG2 PRO 40 HG3 PRO 40 1.764 -11.060 -3.734 312 HG3 PRO 40 HG2 PRO 40 1.324 -9.774 -4.869 313 HD2 PRO 40 HD3 PRO 40 0.661 -10.024 -1.959 314 HD3 PRO 40 HD2 PRO 40 0.982 -8.559 -2.912 315 H SER 41 H SER 41 -1.998 -11.086 -1.855 316 HA SER 41 HA SER 41 -4.146 -12.926 -2.714 317 HB2 SER 41 HB3 SER 41 -2.447 -13.574 -0.966 318 HB3 SER 41 HB2 SER 41 -3.146 -12.350 0.090 319 HG SER 41 HG SER 41 -4.241 -14.756 -0.870 320 H GLY 42 H GLY 42 -3.944 -9.694 -2.032 321 HA2 GLY 42 HA2 GLY 42 -5.784 -8.185 -1.887 322 HA3 GLY 42 HA3 GLY 42 -6.841 -9.548 -1.514 323 H LYS 43 H LYS 43 -3.864 -9.255 0.242 324 HA LYS 43 HA LYS 43 -5.314 -9.050 2.756 325 HB2 LYS 43 HB3 LYS 43 -3.224 -10.337 2.605 326 HB3 LYS 43 HB2 LYS 43 -2.343 -8.874 2.165 327 HG2 LYS 43 HG3 LYS 43 -3.009 -7.853 4.335 328 HG3 LYS 43 HG2 LYS 43 -3.801 -9.367 4.778 329 HD2 LYS 43 HD3 LYS 43 -1.760 -10.544 4.888 330 HD3 LYS 43 HD2 LYS 43 -0.903 -9.322 3.947 331 HE2 LYS 43 HE3 LYS 43 -1.190 -7.708 5.809 332 HE3 LYS 43 HE2 LYS 43 -1.991 -8.963 6.755 333 HZ1 LYS 43 HZ1 LYS 43 0.275 -8.923 7.396 334 HZ2 LYS 43 HZ2 LYS 43 0.811 -8.949 5.785 335 HZ3 LYS 43 HZ3 LYS 43 0.061 -10.317 6.456 336 H LYS 44 H LYS 44 -5.886 -7.186 3.770 337 HA LYS 44 HA LYS 44 -4.890 -4.623 2.669 338 HB2 LYS 44 HB3 LYS 44 -6.677 -3.595 3.969 339 HB3 LYS 44 HB2 LYS 44 -7.336 -4.967 3.078 340 HG2 LYS 44 HG3 LYS 44 -6.974 -6.374 5.140 341 HG3 LYS 44 HG2 LYS 44 -6.556 -4.894 6.005 342 HD2 LYS 44 HD3 LYS 44 -9.158 -5.220 4.495 343 HD3 LYS 44 HD2 LYS 44 -8.989 -5.634 6.201 344 HE2 LYS 44 HE3 LYS 44 -8.061 -3.270 6.530 345 HE3 LYS 44 HE2 LYS 44 -8.653 -2.923 4.905 346 HZ1 LYS 44 HZ1 LYS 44 -10.789 -2.991 5.568 347 HZ2 LYS 44 HZ2 LYS 44 -10.127 -2.624 7.090 348 HZ3 LYS 44 HZ3 LYS 44 -10.529 -4.228 6.700 349 H PHE 45 H PHE 45 -3.256 -3.548 3.661 350 HA PHE 45 HA PHE 45 -2.912 -3.860 6.597 351 HB2 PHE 45 HB3 PHE 45 -0.373 -3.986 6.110 352 HB3 PHE 45 HB2 PHE 45 -1.323 -5.449 5.854 353 HD1 PHE 45 HD1 PHE 45 -2.151 -5.978 3.505 354 HD2 PHE 45 HD2 PHE 45 0.789 -2.954 4.318 355 HE1 PHE 45 HE1 PHE 45 -1.453 -6.017 1.125 356 HE2 PHE 45 HE2 PHE 45 1.487 -2.994 1.938 357 HZ PHE 45 HZ PHE 45 0.366 -4.525 0.342 358 H ARG 46 H ARG 46 -1.856 -2.044 7.568 359 HA ARG 46 HA ARG 46 -1.269 0.239 5.740 360 HB2 ARG 46 HB3 ARG 46 -2.380 1.372 8.054 361 HB3 ARG 46 HB2 ARG 46 -3.130 1.288 6.460 362 HG2 ARG 46 HG3 ARG 46 -4.627 0.303 8.130 363 HG3 ARG 46 HG2 ARG 46 -4.043 -0.954 7.035 364 HD2 ARG 46 HD3 ARG 46 -3.096 -2.071 8.743 365 HD3 ARG 46 HD2 ARG 46 -2.205 -0.634 9.242 366 HE ARG 46 HE ARG 46 -4.765 -1.556 10.361 367 HH11 ARG 46 HH21 ARG 46 -2.456 0.968 9.921 368 HH12 ARG 46 HH22 ARG 46 -2.973 1.863 11.309 369 HH21 ARG 46 HH11 ARG 46 -5.454 -0.399 12.175 370 HH22 ARG 46 HH12 ARG 46 -4.670 1.090 12.586 371 H SER 47 H SER 47 0.912 -0.847 6.439 372 HA SER 47 HA SER 47 2.035 0.856 8.548 373 HB2 SER 47 HB3 SER 47 2.391 -2.130 8.825 374 HB3 SER 47 HB2 SER 47 2.807 -0.873 9.985 375 HG SER 47 HG SER 47 0.365 -0.442 9.733 376 H LYS 48 H LYS 48 3.848 1.610 7.577 377 HA LYS 48 HA LYS 48 5.007 0.573 5.229 378 HB2 LYS 48 HB3 LYS 48 5.547 2.695 7.037 379 HB3 LYS 48 HB2 LYS 48 7.054 1.797 6.839 380 HG2 LYS 48 HG3 LYS 48 5.349 2.636 4.487 381 HG3 LYS 48 HG2 LYS 48 6.635 3.655 5.135 382 HD2 LYS 48 HD3 LYS 48 7.037 0.792 4.222 383 HD3 LYS 48 HD2 LYS 48 7.379 2.205 3.224 384 HE2 LYS 48 HE3 LYS 48 9.462 2.021 4.144 385 HE3 LYS 48 HE2 LYS 48 8.716 2.883 5.490 386 HZ1 LYS 48 HZ1 LYS 48 8.317 0.021 5.510 387 HZ2 LYS 48 HZ2 LYS 48 8.742 1.070 6.776 388 HZ3 LYS 48 HZ3 LYS 48 9.931 0.504 5.703 389 HA PRO 49 HA PRO 49 8.235 -1.573 8.306 390 HB2 PRO 49 HB3 PRO 49 6.234 -2.161 10.442 391 HB3 PRO 49 HB2 PRO 49 7.952 -1.742 10.589 392 HG2 PRO 49 HG3 PRO 49 6.072 0.026 11.172 393 HG3 PRO 49 HG2 PRO 49 7.560 0.515 10.346 394 HD2 PRO 49 HD3 PRO 49 4.806 0.149 9.184 395 HD3 PRO 49 HD2 PRO 49 6.052 1.340 8.751 396 H GLN 50 H GLN 50 4.797 -2.524 8.285 397 HA GLN 50 HA GLN 50 5.215 -5.346 8.289 398 HB2 GLN 50 HB3 GLN 50 3.003 -4.337 8.670 399 HB3 GLN 50 HB2 GLN 50 2.980 -3.741 7.010 400 HG2 GLN 50 HG2 GLN 50 2.988 -5.995 6.130 401 HG3 GLN 50 HG3 GLN 50 3.227 -6.671 7.742 402 HE21 GLN 50 HE21 GLN 50 1.239 -4.220 8.464 403 HE22 GLN 50 HE22 GLN 50 -0.276 -4.950 8.234 404 H LEU 51 H LEU 51 5.193 -2.966 5.666 405 HA LEU 51 HA LEU 51 5.265 -4.869 3.512 406 HB2 LEU 51 HB2 LEU 51 5.973 -1.962 3.806 407 HB3 LEU 51 HB3 LEU 51 6.426 -2.822 2.333 408 HG LEU 51 HG LEU 51 4.063 -3.534 2.050 409 HD11 LEU 51 HD11 LEU 51 3.876 -2.229 4.703 410 HD12 LEU 51 HD12 LEU 51 2.917 -3.546 4.025 411 HD13 LEU 51 HD13 LEU 51 2.554 -1.876 3.591 412 HD21 LEU 51 HD21 LEU 51 4.287 -0.534 2.425 413 HD22 LEU 51 HD22 LEU 51 3.237 -1.391 1.296 414 HD23 LEU 51 HD23 LEU 51 4.984 -1.398 1.054 415 H ALA 52 H ALA 52 7.825 -3.207 5.351 416 HA ALA 52 HA ALA 52 10.003 -4.291 3.819 417 HB1 ALA 52 HB1 ALA 52 10.148 -2.316 5.384 418 HB2 ALA 52 HB2 ALA 52 11.422 -3.515 5.619 419 HB3 ALA 52 HB3 ALA 52 10.055 -3.452 6.731 420 H ARG 53 H ARG 53 8.585 -5.279 6.954 421 HA ARG 53 HA ARG 53 10.256 -7.550 7.343 422 HB2 ARG 53 HB3 ARG 53 7.438 -6.938 8.266 423 HB3 ARG 53 HB2 ARG 53 8.319 -8.379 8.777 424 HG2 ARG 53 HG3 ARG 53 10.178 -6.860 9.562 425 HG3 ARG 53 HG2 ARG 53 9.111 -5.492 9.240 426 HD2 ARG 53 HD3 ARG 53 8.446 -7.798 11.093 427 HD3 ARG 53 HD2 ARG 53 9.022 -6.218 11.622 428 HE ARG 53 HE ARG 53 6.334 -6.819 10.586 429 HH11 ARG 53 HH21 ARG 53 8.771 -4.509 11.369 430 HH12 ARG 53 HH22 ARG 53 7.660 -3.187 11.514 431 HH21 ARG 53 HH11 ARG 53 4.869 -5.106 10.773 432 HH22 ARG 53 HH12 ARG 53 5.450 -3.526 11.177 433 H TYR 54 H TYR 54 7.075 -7.257 5.752 434 HA TYR 54 HA TYR 54 6.837 -10.046 5.111 435 HB2 TYR 54 HB3 TYR 54 4.953 -8.383 5.052 436 HB3 TYR 54 HB2 TYR 54 5.666 -7.699 3.590 437 HD1 TYR 54 HD1 TYR 54 4.217 -10.796 5.058 438 HD2 TYR 54 HD2 TYR 54 5.409 -8.758 1.469 439 HE1 TYR 54 HE1 TYR 54 3.113 -12.549 3.696 440 HE2 TYR 54 HE2 TYR 54 4.306 -10.511 0.106 441 HH TYR 54 HH TYR 54 2.446 -12.185 0.422 442 H LEU 55 H LEU 55 7.802 -7.274 3.047 443 HA LEU 55 HA LEU 55 8.578 -8.865 0.811 444 HB2 LEU 55 HB2 LEU 55 9.527 -6.133 1.724 445 HB3 LEU 55 HB3 LEU 55 9.932 -6.845 0.161 446 HG LEU 55 HG LEU 55 7.102 -6.398 1.150 447 HD11 LEU 55 HD11 LEU 55 7.024 -4.408 -0.062 448 HD12 LEU 55 HD12 LEU 55 8.384 -4.865 -1.090 449 HD13 LEU 55 HD13 LEU 55 8.668 -4.355 0.575 450 HD21 LEU 55 HD21 LEU 55 6.856 -6.647 -1.487 451 HD22 LEU 55 HD22 LEU 55 6.909 -8.071 -0.448 452 HD23 LEU 55 HD23 LEU 55 8.358 -7.555 -1.311 453 H GLY 56 H GLY 56 10.440 -7.669 3.602 454 HA2 GLY 56 HA2 GLY 56 12.269 -8.885 4.588 455 HA3 GLY 56 HA3 GLY 56 12.418 -9.817 3.097 456 H GLY 57 H GLY 57 14.638 -9.379 2.789 457 HA2 GLY 57 HA2 GLY 57 15.436 -6.525 2.546 458 HA3 GLY 57 HA3 GLY 57 16.546 -7.895 2.620 459 H SER 58 H SER 58 13.723 -7.993 0.559 460 HA SER 58 HA SER 58 15.500 -8.245 -1.785 461 HB2 SER 58 HB3 SER 58 12.562 -8.720 -1.305 462 HB3 SER 58 HB2 SER 58 13.222 -8.677 -2.937 463 HG SER 58 HG SER 58 13.855 -10.421 -0.799 464 H MET 59 H MET 59 13.292 -5.951 -0.353 465 HA MET 59 HA MET 59 14.014 -4.024 -2.494 466 HB2 MET 59 HB3 MET 59 11.187 -4.679 -1.617 467 HB3 MET 59 HB2 MET 59 11.614 -3.242 -2.548 468 HG2 MET 59 HG3 MET 59 12.515 -4.637 -4.346 469 HG3 MET 59 HG2 MET 59 12.181 -6.094 -3.410 470 HE1 MET 59 HE1 MET 59 11.043 -2.938 -4.751 471 HE2 MET 59 HE2 MET 59 9.497 -2.845 -3.911 472 HE3 MET 59 HE3 MET 59 9.535 -3.244 -5.627 473 H ASP 60 H ASP 60 14.455 -2.025 -1.640 474 HA ASP 60 HA ASP 60 13.983 -1.670 1.273 475 HB2 ASP 60 HB2 ASP 60 15.763 -0.227 -0.709 476 HB3 ASP 60 HB3 ASP 60 15.557 0.293 0.964 477 H LEU 61 H LEU 61 12.166 -0.568 1.812 478 HA LEU 61 HA LEU 61 10.977 1.298 -0.165 479 HB2 LEU 61 HB2 LEU 61 9.930 0.141 2.435 480 HB3 LEU 61 HB3 LEU 61 9.037 1.294 1.441 481 HG LEU 61 HG LEU 61 10.064 -1.378 0.443 482 HD11 LEU 61 HD11 LEU 61 7.788 -2.172 0.623 483 HD12 LEU 61 HD12 LEU 61 7.221 -0.581 1.131 484 HD13 LEU 61 HD13 LEU 61 8.256 -1.532 2.197 485 HD21 LEU 61 HD21 LEU 61 9.801 -0.103 -1.474 486 HD22 LEU 61 HD22 LEU 61 8.570 0.929 -0.745 487 HD23 LEU 61 HD23 LEU 61 8.151 -0.697 -1.283 488 H SER 62 H SER 62 13.235 1.521 2.190 489 HA SER 62 HA SER 62 12.500 3.608 3.906 490 HB2 SER 62 HB3 SER 62 15.162 3.170 2.522 491 HB3 SER 62 HB2 SER 62 14.913 4.248 3.893 492 HG SER 62 HG SER 62 14.585 2.554 5.182 493 H THR 63 H THR 63 13.557 3.800 0.521 494 HA THR 63 HA THR 63 13.160 6.739 0.560 495 HB THR 63 HB THR 63 14.176 6.737 -1.630 496 HG1 THR 63 HG1 THR 63 13.144 4.916 -2.465 497 HG21 THR 63 HG21 THR 63 15.716 6.445 0.275 498 HG22 THR 63 HG22 THR 63 16.319 5.616 -1.159 499 HG23 THR 63 HG23 THR 63 15.555 4.695 0.136 500 H PHE 64 H PHE 64 10.826 5.139 0.957 501 HA PHE 64 HA PHE 64 9.371 5.718 -1.592 502 HB2 PHE 64 HB3 PHE 64 9.521 3.299 -1.305 503 HB3 PHE 64 HB2 PHE 64 8.924 3.431 0.350 504 HD1 PHE 64 HD1 PHE 64 7.996 4.193 -3.191 505 HD2 PHE 64 HD2 PHE 64 6.614 3.384 0.794 506 HE1 PHE 64 HE1 PHE 64 5.661 4.091 -4.021 507 HE2 PHE 64 HE2 PHE 64 4.280 3.282 -0.036 508 HZ PHE 64 HZ PHE 64 3.803 3.635 -2.444 509 H ASP 65 H ASP 65 7.773 7.198 -1.315 510 HA ASP 65 HA ASP 65 7.148 8.188 1.354 511 HB2 ASP 65 HB2 ASP 65 6.060 8.838 -1.397 512 HB3 ASP 65 HB3 ASP 65 5.502 9.637 0.073 513 H PHE 66 H PHE 66 5.890 6.888 2.625 514 HA PHE 66 HA PHE 66 3.880 5.102 1.515 515 HB2 PHE 66 HB3 PHE 66 5.168 4.720 3.671 516 HB3 PHE 66 HB2 PHE 66 4.167 5.973 4.403 517 HD1 PHE 66 HD1 PHE 66 4.006 2.706 2.605 518 HD2 PHE 66 HD2 PHE 66 1.981 5.494 5.171 519 HE1 PHE 66 HE1 PHE 66 2.200 1.049 2.980 520 HE2 PHE 66 HE2 PHE 66 0.176 3.837 5.545 521 HZ PHE 66 HZ PHE 66 0.284 1.613 4.450 522 H ARG 67 H ARG 67 3.730 8.108 3.453 523 HA ARG 67 HA ARG 67 0.923 8.359 3.564 524 HB2 ARG 67 HB3 ARG 67 2.917 10.620 3.232 525 HB3 ARG 67 HB2 ARG 67 1.297 10.742 3.919 526 HG2 ARG 67 HG3 ARG 67 3.445 8.940 5.061 527 HG3 ARG 67 HG2 ARG 67 3.170 10.588 5.624 528 HD2 ARG 67 HD3 ARG 67 1.239 8.258 5.724 529 HD3 ARG 67 HD2 ARG 67 1.913 9.159 7.084 530 HE ARG 67 HE ARG 67 0.454 10.930 5.347 531 HH11 ARG 67 HH21 ARG 67 0.134 8.417 7.685 532 HH12 ARG 67 HH22 ARG 67 -1.417 8.953 8.243 533 HH21 ARG 67 HH11 ARG 67 -1.568 11.642 6.061 534 HH22 ARG 67 HH12 ARG 67 -2.381 10.777 7.323 535 H THR 68 H THR 68 3.181 9.395 1.013 536 HA THR 68 HA THR 68 0.862 10.201 -0.664 537 HB THR 68 HB THR 68 2.393 11.399 -2.001 538 HG1 THR 68 HG1 THR 68 3.849 9.415 -1.914 539 HG21 THR 68 HG21 THR 68 3.618 11.420 0.770 540 HG22 THR 68 HG22 THR 68 2.173 12.317 0.305 541 HG23 THR 68 HG23 THR 68 3.727 12.705 -0.432 542 H GLY 69 H GLY 69 2.987 7.572 -0.170 543 HA2 GLY 69 HA2 GLY 69 3.183 5.526 -1.303 544 HA3 GLY 69 HA3 GLY 69 1.730 5.979 -2.196 545 H LYS 70 H LYS 70 4.650 7.941 -2.164 546 HA LYS 70 HA LYS 70 4.969 7.321 -5.073 547 HB2 LYS 70 HB3 LYS 70 5.821 9.819 -3.576 548 HB3 LYS 70 HB2 LYS 70 5.905 9.561 -5.320 549 HG2 LYS 70 HG3 LYS 70 3.333 9.491 -3.716 550 HG3 LYS 70 HG2 LYS 70 3.906 10.901 -4.608 551 HD2 LYS 70 HD3 LYS 70 4.016 9.369 -6.661 552 HD3 LYS 70 HD2 LYS 70 3.081 8.211 -5.714 553 HE2 LYS 70 HE3 LYS 70 1.290 9.844 -5.413 554 HE3 LYS 70 HE2 LYS 70 2.236 11.073 -6.253 555 HZ1 LYS 70 HZ1 LYS 70 2.275 9.397 -8.160 556 HZ2 LYS 70 HZ2 LYS 70 0.828 10.242 -7.878 557 HZ3 LYS 70 HZ3 LYS 70 0.993 8.633 -7.355 558 H MET 71 H MET 71 7.127 7.050 -5.869 559 HA MET 71 HA MET 71 9.016 6.107 -3.789 560 HB2 MET 71 HB3 MET 71 8.529 4.658 -5.755 561 HB3 MET 71 HB2 MET 71 9.189 5.906 -6.812 562 HG2 MET 71 HG3 MET 71 10.902 4.215 -6.352 563 HG3 MET 71 HG2 MET 71 11.357 5.747 -5.609 564 HE1 MET 71 HE1 MET 71 10.539 1.743 -3.763 565 HE2 MET 71 HE2 MET 71 11.811 2.203 -4.892 566 HE3 MET 71 HE3 MET 71 10.124 2.294 -5.392 567 H LEU 72 H LEU 72 10.657 7.406 -3.134 568 HA LEU 72 HA LEU 72 11.305 9.792 -4.793 569 HB2 LEU 72 HB2 LEU 72 10.718 9.811 -2.221 570 HB3 LEU 72 HB3 LEU 72 12.406 9.333 -2.038 571 HG LEU 72 HG LEU 72 12.308 11.747 -1.944 572 HD11 LEU 72 HD11 LEU 72 13.850 12.294 -3.690 573 HD12 LEU 72 HD12 LEU 72 13.193 11.048 -4.752 574 HD13 LEU 72 HD13 LEU 72 14.121 10.589 -3.324 575 HD21 LEU 72 HD21 LEU 72 10.992 13.054 -3.295 576 HD22 LEU 72 HD22 LEU 72 10.080 11.554 -3.469 577 HD23 LEU 72 HD23 LEU 72 11.245 12.026 -4.707 Start of MODEL 20 1 H1 GLY 1 H1 GLY 1 -22.342 5.985 -2.333 2 H2 GLY 1 H2 GLY 1 -22.013 6.646 -0.804 3 H3 GLY 1 H3 GLY 1 -22.642 5.074 -0.934 4 HA2 GLY 1 HA2 GLY 1 -20.621 4.154 -0.943 5 HA3 GLY 1 HA3 GLY 1 -20.254 5.198 -2.350 6 H SER 2 H SER 2 -18.134 4.624 -1.333 7 HA SER 2 HA SER 2 -17.212 7.086 -0.116 8 HB2 SER 2 HB3 SER 2 -15.089 6.110 -0.143 9 HB3 SER 2 HB2 SER 2 -16.127 4.688 -0.143 10 HG SER 2 HG SER 2 -14.783 5.914 -2.313 11 H MET 3 H MET 3 -15.587 8.528 -1.213 12 HA MET 3 HA MET 3 -16.634 9.381 -3.800 13 HB2 MET 3 HB3 MET 3 -15.893 11.043 -2.149 14 HB3 MET 3 HB2 MET 3 -14.262 10.374 -2.191 15 HG2 MET 3 HG3 MET 3 -14.051 10.960 -4.558 16 HG3 MET 3 HG2 MET 3 -15.710 11.558 -4.578 17 HE1 MET 3 HE1 MET 3 -13.987 14.863 -4.935 18 HE2 MET 3 HE2 MET 3 -15.631 14.231 -4.955 19 HE3 MET 3 HE3 MET 3 -14.346 13.344 -5.770 20 H GLU 4 H GLU 4 -16.124 7.661 -5.241 21 HA GLU 4 HA GLU 4 -14.647 6.154 -6.382 22 HB2 GLU 4 HB3 GLU 4 -13.020 7.671 -7.737 23 HB3 GLU 4 HB2 GLU 4 -14.755 7.896 -7.963 24 HG2 GLU 4 HG2 GLU 4 -14.751 9.759 -6.372 25 HG3 GLU 4 HG3 GLU 4 -13.031 9.515 -6.066 26 H ARG 5 H ARG 5 -13.578 5.080 -4.603 27 HA ARG 5 HA ARG 5 -11.477 6.020 -3.032 28 HB2 ARG 5 HB3 ARG 5 -10.638 3.618 -3.069 29 HB3 ARG 5 HB2 ARG 5 -12.335 3.815 -2.625 30 HG2 ARG 5 HG3 ARG 5 -12.943 3.393 -5.029 31 HG3 ARG 5 HG2 ARG 5 -11.248 3.014 -5.337 32 HD2 ARG 5 HD3 ARG 5 -11.341 1.219 -3.641 33 HD3 ARG 5 HD2 ARG 5 -13.040 1.591 -3.347 34 HE ARG 5 HE ARG 5 -12.671 1.079 -6.136 35 HH11 ARG 5 HH21 ARG 5 -12.644 -0.433 -3.039 36 HH12 ARG 5 HH22 ARG 5 -13.136 -1.980 -3.642 37 HH21 ARG 5 HH11 ARG 5 -13.314 -0.932 -6.943 38 HH22 ARG 5 HH12 ARG 5 -13.516 -2.263 -5.853 39 H LYS 6 H LYS 6 -9.448 6.738 -3.487 40 HA LYS 6 HA LYS 6 -8.511 6.999 -6.175 41 HB2 LYS 6 HB3 LYS 6 -6.686 7.023 -3.776 42 HB3 LYS 6 HB2 LYS 6 -6.581 7.989 -5.247 43 HG2 LYS 6 HG3 LYS 6 -8.647 8.245 -3.046 44 HG3 LYS 6 HG2 LYS 6 -7.407 9.421 -3.480 45 HD2 LYS 6 HD3 LYS 6 -8.488 9.447 -5.815 46 HD3 LYS 6 HD2 LYS 6 -9.852 8.619 -5.062 47 HE2 LYS 6 HE3 LYS 6 -10.619 10.640 -4.430 48 HE3 LYS 6 HE2 LYS 6 -9.248 10.737 -3.324 49 HZ1 LYS 6 HZ1 LYS 6 -9.719 12.413 -5.399 50 HZ2 LYS 6 HZ2 LYS 6 -8.558 11.351 -6.040 51 HZ3 LYS 6 HZ3 LYS 6 -8.228 12.215 -4.615 52 H ARG 7 H ARG 7 -6.876 5.836 -7.288 53 HA ARG 7 HA ARG 7 -5.760 3.415 -6.013 54 HB2 ARG 7 HB3 ARG 7 -7.949 2.709 -6.983 55 HB3 ARG 7 HB2 ARG 7 -7.392 3.259 -8.564 56 HG2 ARG 7 HG3 ARG 7 -5.509 1.676 -8.464 57 HG3 ARG 7 HG2 ARG 7 -6.044 1.132 -6.873 58 HD2 ARG 7 HD3 ARG 7 -6.843 -0.429 -8.575 59 HD3 ARG 7 HD2 ARG 7 -8.214 0.434 -7.879 60 HE ARG 7 HE ARG 7 -8.535 1.528 -9.964 61 HH11 ARG 7 HH21 ARG 7 -5.557 -0.198 -9.782 62 HH12 ARG 7 HH22 ARG 7 -5.209 -0.041 -11.472 63 HH21 ARG 7 HH11 ARG 7 -8.099 1.744 -12.171 64 HH22 ARG 7 HH12 ARG 7 -6.649 1.058 -12.825 65 H TRP 8 H TRP 8 -3.759 2.902 -6.882 66 HA TRP 8 HA TRP 8 -2.946 3.726 -9.539 67 HB2 TRP 8 HB3 TRP 8 -1.005 5.143 -8.253 68 HB3 TRP 8 HB2 TRP 8 -2.453 5.874 -8.945 69 HD1 TRP 8 HD1 TRP 8 -2.033 3.851 -5.675 70 HE1 TRP 8 HE1 TRP 8 -2.969 5.265 -3.733 71 HE3 TRP 8 HE3 TRP 8 -3.264 8.115 -8.200 72 HZ2 TRP 8 HZ2 TRP 8 -4.089 7.861 -3.305 73 HZ3 TRP 8 HZ3 TRP 8 -4.262 10.042 -7.003 74 HH2 TRP 8 HH2 TRP 8 -4.676 9.921 -4.561 75 H GLU 9 H GLU 9 -1.085 2.606 -10.146 76 HA GLU 9 HA GLU 9 0.085 0.833 -8.054 77 HB2 GLU 9 HB3 GLU 9 0.897 -0.523 -9.958 78 HB3 GLU 9 HB2 GLU 9 -0.852 -0.305 -10.031 79 HG2 GLU 9 HG2 GLU 9 -0.532 1.582 -11.614 80 HG3 GLU 9 HG3 GLU 9 1.208 1.293 -11.581 81 H CYS 10 H CYS 10 2.312 0.850 -7.669 82 HA CYS 10 HA CYS 10 3.824 3.039 -9.039 83 HB2 CYS 10 HB3 CYS 10 4.825 3.602 -7.036 84 HB3 CYS 10 HB2 CYS 10 3.288 2.995 -6.420 85 HG CYS 10 HG CYS 10 4.421 0.828 -5.683 86 HA PRO 11 HA PRO 11 6.339 -0.168 -10.839 87 HB2 PRO 11 HB3 PRO 11 8.404 1.978 -10.699 88 HB3 PRO 11 HB2 PRO 11 7.875 1.008 -12.088 89 HG2 PRO 11 HG3 PRO 11 7.147 3.562 -11.786 90 HG3 PRO 11 HG2 PRO 11 6.077 2.355 -12.517 91 HD2 PRO 11 HD3 PRO 11 5.911 3.631 -9.832 92 HD3 PRO 11 HD2 PRO 11 4.630 2.979 -10.878 93 H ALA 12 H ALA 12 7.197 1.644 -7.967 94 HA ALA 12 HA ALA 12 9.567 0.121 -7.310 95 HB1 ALA 12 HB1 ALA 12 7.771 2.030 -5.852 96 HB2 ALA 12 HB2 ALA 12 9.506 2.140 -6.158 97 HB3 ALA 12 HB3 ALA 12 8.896 1.041 -4.920 98 H LEU 13 H LEU 13 6.208 -0.545 -7.141 99 HA LEU 13 HA LEU 13 6.639 -2.678 -5.108 100 HB2 LEU 13 HB2 LEU 13 4.329 -1.062 -5.989 101 HB3 LEU 13 HB3 LEU 13 3.969 -2.766 -5.710 102 HG LEU 13 HG LEU 13 5.073 -2.583 -3.471 103 HD11 LEU 13 HD11 LEU 13 4.905 0.396 -3.693 104 HD12 LEU 13 HD12 LEU 13 6.312 -0.411 -4.385 105 HD13 LEU 13 HD13 LEU 13 5.946 -0.595 -2.670 106 HD21 LEU 13 HD21 LEU 13 2.540 -2.027 -4.107 107 HD22 LEU 13 HD22 LEU 13 3.004 -0.422 -3.541 108 HD23 LEU 13 HD23 LEU 13 3.138 -1.811 -2.461 109 HA PRO 14 HA PRO 14 6.712 -5.800 -8.220 110 HB2 PRO 14 HB3 PRO 14 5.608 -7.885 -6.815 111 HB3 PRO 14 HB2 PRO 14 7.271 -7.312 -6.583 112 HG2 PRO 14 HG3 PRO 14 4.835 -6.763 -4.962 113 HG3 PRO 14 HG2 PRO 14 6.499 -7.063 -4.435 114 HD2 PRO 14 HD3 PRO 14 5.437 -4.552 -4.536 115 HD3 PRO 14 HD2 PRO 14 7.165 -4.865 -4.805 116 H GLN 15 H GLN 15 5.337 -6.833 -9.744 117 HA GLN 15 HA GLN 15 2.800 -5.699 -10.214 118 HB2 GLN 15 HB3 GLN 15 2.510 -7.361 -11.912 119 HB3 GLN 15 HB2 GLN 15 4.245 -7.036 -11.841 120 HG2 GLN 15 HG2 GLN 15 2.754 -9.388 -10.655 121 HG3 GLN 15 HG3 GLN 15 4.017 -9.420 -11.885 122 HE21 GLN 15 HE21 GLN 15 3.637 -10.222 -8.752 123 HE22 GLN 15 HE22 GLN 15 5.170 -9.827 -8.137 124 H GLY 16 H GLY 16 0.867 -6.006 -9.218 125 HA2 GLY 16 HA2 GLY 16 -0.806 -7.796 -8.563 126 HA3 GLY 16 HA3 GLY 16 0.508 -8.517 -7.630 127 H TRP 17 H TRP 17 1.515 -5.842 -6.793 128 HA TRP 17 HA TRP 17 -0.356 -5.466 -4.541 129 HB2 TRP 17 HB3 TRP 17 2.363 -4.259 -5.133 130 HB3 TRP 17 HB2 TRP 17 1.436 -3.967 -3.662 131 HD1 TRP 17 HD1 TRP 17 2.304 -7.203 -5.617 132 HE1 TRP 17 HE1 TRP 17 3.196 -8.935 -3.930 133 HE3 TRP 17 HE3 TRP 17 2.102 -4.441 -1.326 134 HZ2 TRP 17 HZ2 TRP 17 3.750 -9.125 -1.130 135 HZ3 TRP 17 HZ3 TRP 17 2.817 -5.422 0.835 136 HH2 TRP 17 HH2 TRP 17 3.641 -7.758 0.938 137 H GLU 18 H GLU 18 -1.162 -3.319 -3.982 138 HA GLU 18 HA GLU 18 -1.045 -1.259 -6.098 139 HB2 GLU 18 HB3 GLU 18 -3.615 -2.610 -5.224 140 HB3 GLU 18 HB2 GLU 18 -3.553 -1.111 -6.152 141 HG2 GLU 18 HG2 GLU 18 -2.274 -2.275 -7.927 142 HG3 GLU 18 HG3 GLU 18 -2.391 -3.777 -7.009 143 H ARG 19 H ARG 19 -2.138 0.780 -5.337 144 HA ARG 19 HA ARG 19 -2.374 0.894 -2.361 145 HB2 ARG 19 HB3 ARG 19 -1.144 3.169 -3.897 146 HB3 ARG 19 HB2 ARG 19 -0.962 2.750 -2.193 147 HG2 ARG 19 HG3 ARG 19 0.415 0.842 -2.733 148 HG3 ARG 19 HG2 ARG 19 0.092 1.035 -4.457 149 HD2 ARG 19 HD3 ARG 19 1.380 3.234 -2.837 150 HD3 ARG 19 HD2 ARG 19 2.336 1.950 -3.578 151 HE ARG 19 HE ARG 19 1.491 2.724 -5.783 152 HH11 ARG 19 HH21 ARG 19 0.978 4.691 -2.997 153 HH12 ARG 19 HH22 ARG 19 0.756 6.150 -3.904 154 HH21 ARG 19 HH11 ARG 19 1.201 4.618 -6.983 155 HH22 ARG 19 HH12 ARG 19 0.882 6.109 -6.159 156 H GLU 20 H GLU 20 -4.175 1.997 -1.697 157 HA GLU 20 HA GLU 20 -5.515 3.806 -3.649 158 HB2 GLU 20 HB3 GLU 20 -7.128 2.257 -3.958 159 HB3 GLU 20 HB2 GLU 20 -6.483 1.237 -2.671 160 HG2 GLU 20 HG2 GLU 20 -7.622 2.577 -0.981 161 HG3 GLU 20 HG3 GLU 20 -8.195 3.698 -2.218 162 H GLU 21 H GLU 21 -6.497 5.588 -2.688 163 HA GLU 21 HA GLU 21 -6.080 5.853 0.252 164 HB2 GLU 21 HB3 GLU 21 -5.079 7.580 -1.263 165 HB3 GLU 21 HB2 GLU 21 -6.706 8.006 -1.791 166 HG2 GLU 21 HG2 GLU 21 -7.328 8.626 0.483 167 HG3 GLU 21 HG3 GLU 21 -5.757 8.097 1.086 168 H VAL 22 H VAL 22 -7.825 6.502 1.594 169 HA VAL 22 HA VAL 22 -10.504 6.767 0.375 170 HB VAL 22 HB VAL 22 -10.064 4.701 2.532 171 HG11 VAL 22 HG21 VAL 22 -12.243 4.983 0.447 172 HG12 VAL 22 HG22 VAL 22 -12.348 5.690 2.060 173 HG13 VAL 22 HG23 VAL 22 -12.250 3.940 1.870 174 HG21 VAL 22 HG13 VAL 22 -10.026 4.339 -0.481 175 HG22 VAL 22 HG11 VAL 22 -10.206 3.014 0.670 176 HG23 VAL 22 HG12 VAL 22 -8.721 3.965 0.645 177 HA PRO 23 HA PRO 23 -10.589 9.541 3.879 178 HB2 PRO 23 HB3 PRO 23 -13.018 10.642 3.345 179 HB3 PRO 23 HB2 PRO 23 -11.557 11.055 2.427 180 HG2 PRO 23 HG3 PRO 23 -13.809 9.268 1.694 181 HG3 PRO 23 HG2 PRO 23 -12.850 10.355 0.678 182 HD2 PRO 23 HD3 PRO 23 -12.473 7.598 0.821 183 HD3 PRO 23 HD2 PRO 23 -11.238 8.758 0.281 184 H ARG 24 H ARG 24 -11.420 9.358 5.959 185 HA ARG 24 HA ARG 24 -13.023 7.057 6.630 186 HB2 ARG 24 HB3 ARG 24 -12.184 9.493 8.225 187 HB3 ARG 24 HB2 ARG 24 -13.083 8.144 8.921 188 HG2 ARG 24 HG3 ARG 24 -11.289 6.592 8.271 189 HG3 ARG 24 HG2 ARG 24 -10.393 7.923 7.538 190 HD2 ARG 24 HD3 ARG 24 -10.222 9.038 9.716 191 HD3 ARG 24 HD2 ARG 24 -11.165 7.750 10.464 192 HE ARG 24 HE ARG 24 -9.036 6.422 9.284 193 HH11 ARG 24 HH21 ARG 24 -9.454 9.061 11.461 194 HH12 ARG 24 HH22 ARG 24 -7.972 8.769 12.311 195 HH21 ARG 24 HH11 ARG 24 -7.098 6.024 10.379 196 HH22 ARG 24 HH12 ARG 24 -6.638 7.050 11.697 197 H ARG 25 H ARG 25 -15.189 7.067 7.515 198 HA ARG 25 HA ARG 25 -16.781 9.499 6.818 199 HB2 ARG 25 HB3 ARG 25 -17.486 6.598 6.280 200 HB3 ARG 25 HB2 ARG 25 -18.612 7.945 6.095 201 HG2 ARG 25 HG3 ARG 25 -17.108 8.984 4.441 202 HG3 ARG 25 HG2 ARG 25 -15.974 7.646 4.627 203 HD2 ARG 25 HD3 ARG 25 -18.856 7.294 3.761 204 HD3 ARG 25 HD2 ARG 25 -17.504 7.421 2.636 205 HE ARG 25 HE ARG 25 -16.881 5.379 4.509 206 HH11 ARG 25 HH21 ARG 25 -19.123 6.144 2.004 207 HH12 ARG 25 HH22 ARG 25 -19.377 4.494 1.545 208 HH21 ARG 25 HH11 ARG 25 -17.198 3.219 3.923 209 HH22 ARG 25 HH12 ARG 25 -18.287 2.838 2.630 210 H SER 26 H SER 26 -16.275 6.742 8.918 211 HA SER 26 HA SER 26 -18.033 8.037 10.931 212 HB2 SER 26 HB3 SER 26 -19.462 6.366 9.833 213 HB3 SER 26 HB2 SER 26 -18.244 5.125 10.105 214 HG SER 26 HG SER 26 -19.868 6.495 11.961 215 H GLY 27 H GLY 27 -16.628 8.355 12.590 216 HA2 GLY 27 HA2 GLY 27 -15.486 6.293 14.113 217 HA3 GLY 27 HA3 GLY 27 -14.237 6.793 12.971 218 H LEU 28 H LEU 28 -13.698 7.196 15.611 219 HA LEU 28 HA LEU 28 -14.568 9.693 16.699 220 HB2 LEU 28 HB2 LEU 28 -12.173 7.926 17.138 221 HB3 LEU 28 HB3 LEU 28 -12.244 9.514 17.901 222 HG LEU 28 HG LEU 28 -14.493 8.897 18.835 223 HD11 LEU 28 HD11 LEU 28 -14.974 6.405 18.856 224 HD12 LEU 28 HD12 LEU 28 -13.741 6.232 17.607 225 HD13 LEU 28 HD13 LEU 28 -15.188 7.188 17.291 226 HD21 LEU 28 HD21 LEU 28 -13.497 7.098 20.424 227 HD22 LEU 28 HD22 LEU 28 -12.710 8.677 20.370 228 HD23 LEU 28 HD23 LEU 28 -12.011 7.312 19.497 229 H SER 29 H SER 29 -11.815 8.855 14.604 230 HA SER 29 HA SER 29 -11.057 11.714 14.450 231 HB2 SER 29 HB3 SER 29 -9.798 9.142 13.512 232 HB3 SER 29 HB2 SER 29 -9.254 10.692 12.877 233 HG SER 29 HG SER 29 -9.515 10.178 15.647 234 H ALA 30 H ALA 30 -13.489 10.181 13.148 235 HA ALA 30 HA ALA 30 -13.409 10.054 10.406 236 HB1 ALA 30 HB1 ALA 30 -15.489 11.259 12.228 237 HB2 ALA 30 HB2 ALA 30 -15.528 9.709 11.389 238 HB3 ALA 30 HB3 ALA 30 -15.733 11.207 10.481 239 H GLY 31 H GLY 31 -13.013 11.453 8.731 240 HA2 GLY 31 HA2 GLY 31 -13.350 13.827 7.902 241 HA3 GLY 31 HA3 GLY 31 -12.656 14.338 9.441 242 H HIS 32 H HIS 32 -10.626 12.253 9.516 243 HA HIS 32 HA HIS 32 -8.647 13.546 7.789 244 HB2 HIS 32 HB2 HIS 32 -8.468 11.234 9.741 245 HB3 HIS 32 HB3 HIS 32 -7.086 11.872 8.852 246 HD1 HIS 32 HD1 HIS 32 -6.354 14.351 9.396 247 HD2 HIS 32 HD2 HIS 32 -9.313 12.826 11.912 248 HE1 HIS 32 HE1 HIS 32 -6.485 15.917 11.384 249 HE2 HIS 32 HE2 HIS 32 -8.282 14.998 12.921 250 H ARG 33 H ARG 33 -7.079 11.937 6.594 251 HA ARG 33 HA ARG 33 -8.768 9.960 5.112 252 HB2 ARG 33 HB3 ARG 33 -6.503 11.682 4.060 253 HB3 ARG 33 HB2 ARG 33 -7.376 10.470 3.124 254 HG2 ARG 33 HG3 ARG 33 -9.474 11.694 3.439 255 HG3 ARG 33 HG2 ARG 33 -8.649 12.885 4.446 256 HD2 ARG 33 HD3 ARG 33 -8.845 13.799 2.208 257 HD3 ARG 33 HD2 ARG 33 -7.151 13.399 2.493 258 HE ARG 33 HE ARG 33 -8.471 11.164 1.274 259 HH11 ARG 33 HH21 ARG 33 -7.329 14.362 0.688 260 HH12 ARG 33 HH22 ARG 33 -7.030 14.090 -0.996 261 HH21 ARG 33 HH11 ARG 33 -8.087 10.789 -0.922 262 HH22 ARG 33 HH12 ARG 33 -7.458 12.067 -1.908 263 H ASP 34 H ASP 34 -7.916 7.913 4.897 264 HA ASP 34 HA ASP 34 -5.126 7.509 5.902 265 HB2 ASP 34 HB2 ASP 34 -7.574 5.761 6.292 266 HB3 ASP 34 HB3 ASP 34 -5.933 5.272 6.716 267 H VAL 35 H VAL 35 -3.847 6.065 4.715 268 HA VAL 35 HA VAL 35 -5.017 5.207 2.106 269 HB VAL 35 HB VAL 35 -2.116 5.567 2.924 270 HG11 VAL 35 HG21 VAL 35 -2.438 3.831 1.197 271 HG12 VAL 35 HG22 VAL 35 -1.664 5.262 0.516 272 HG13 VAL 35 HG23 VAL 35 -3.379 4.968 0.231 273 HG21 VAL 35 HG13 VAL 35 -3.536 7.212 0.858 274 HG22 VAL 35 HG11 VAL 35 -2.166 7.645 1.882 275 HG23 VAL 35 HG12 VAL 35 -3.794 7.591 2.561 276 H PHE 36 H PHE 36 -5.074 3.041 1.597 277 HA PHE 36 HA PHE 36 -3.785 1.167 3.544 278 HB2 PHE 36 HB3 PHE 36 -6.421 0.850 2.074 279 HB3 PHE 36 HB2 PHE 36 -5.675 -0.385 3.089 280 HD1 PHE 36 HD2 PHE 36 -7.336 2.907 3.055 281 HD2 PHE 36 HD1 PHE 36 -5.587 -0.151 5.512 282 HE1 PHE 36 HE2 PHE 36 -8.346 3.947 5.066 283 HE2 PHE 36 HE1 PHE 36 -6.597 0.890 7.525 284 HZ PHE 36 HZ PHE 36 -7.976 2.939 7.302 285 H TYR 37 H TYR 37 -2.813 -0.699 2.641 286 HA TYR 37 HA TYR 37 -2.480 -0.589 -0.329 287 HB2 TYR 37 HB3 TYR 37 -0.620 -1.552 1.859 288 HB3 TYR 37 HB2 TYR 37 -0.336 -1.866 0.147 289 HD1 TYR 37 HD1 TYR 37 -1.338 1.041 2.308 290 HD2 TYR 37 HD2 TYR 37 1.084 -0.384 -0.940 291 HE1 TYR 37 HE1 TYR 37 -0.348 3.302 2.054 292 HE2 TYR 37 HE2 TYR 37 2.074 1.876 -1.193 293 HH TYR 37 HH TYR 37 2.407 3.935 0.503 294 H TYR 38 H TYR 38 -2.890 -2.455 -1.502 295 HA TYR 38 HA TYR 38 -3.887 -4.793 0.078 296 HB2 TYR 38 HB3 TYR 38 -4.657 -3.906 -2.721 297 HB3 TYR 38 HB2 TYR 38 -5.312 -5.306 -1.870 298 HD1 TYR 38 HD1 TYR 38 -6.336 -4.830 0.503 299 HD2 TYR 38 HD2 TYR 38 -5.733 -1.838 -2.518 300 HE1 TYR 38 HE1 TYR 38 -8.016 -3.378 1.608 301 HE2 TYR 38 HE2 TYR 38 -7.412 -0.384 -1.414 302 HH TYR 38 HH TYR 38 -9.600 -1.437 0.768 303 H SER 39 H SER 39 -2.758 -6.663 -0.173 304 HA SER 39 HA SER 39 -0.677 -6.760 -2.292 305 HB2 SER 39 HB3 SER 39 -0.690 -7.531 0.400 306 HB3 SER 39 HB2 SER 39 -0.758 -9.048 -0.493 307 HG SER 39 HG SER 39 0.959 -7.598 -1.780 308 HA PRO 40 HA PRO 40 -2.383 -9.941 -4.814 309 HB2 PRO 40 HB3 PRO 40 -0.540 -11.995 -3.681 310 HB3 PRO 40 HB2 PRO 40 -0.798 -11.519 -5.369 311 HG2 PRO 40 HG3 PRO 40 1.384 -10.775 -4.060 312 HG3 PRO 40 HG2 PRO 40 0.584 -9.687 -5.208 313 HD2 PRO 40 HD3 PRO 40 0.546 -9.605 -2.205 314 HD3 PRO 40 HD2 PRO 40 0.517 -8.256 -3.361 315 H SER 41 H SER 41 -1.901 -10.895 -1.444 316 HA SER 41 HA SER 41 -3.978 -12.980 -1.624 317 HB2 SER 41 HB3 SER 41 -3.487 -13.364 0.743 318 HB3 SER 41 HB2 SER 41 -1.981 -13.284 -0.167 319 HG SER 41 HG SER 41 -2.713 -11.816 1.895 320 H GLY 42 H GLY 42 -4.131 -9.735 -1.607 321 HA2 GLY 42 HA2 GLY 42 -5.975 -8.315 -1.216 322 HA3 GLY 42 HA3 GLY 42 -6.866 -9.714 -0.615 323 H LYS 43 H LYS 43 -3.818 -9.363 0.853 324 HA LYS 43 HA LYS 43 -5.026 -8.817 3.433 325 HB2 LYS 43 HB3 LYS 43 -2.936 -10.205 3.036 326 HB3 LYS 43 HB2 LYS 43 -2.082 -8.693 2.732 327 HG2 LYS 43 HG3 LYS 43 -3.516 -8.267 5.114 328 HG3 LYS 43 HG2 LYS 43 -2.831 -9.885 5.267 329 HD2 LYS 43 HD3 LYS 43 -1.266 -7.405 4.490 330 HD3 LYS 43 HD2 LYS 43 -1.274 -8.134 6.096 331 HE2 LYS 43 HE3 LYS 43 -0.645 -10.322 4.704 332 HE3 LYS 43 HE2 LYS 43 -0.019 -9.122 3.573 333 HZ1 LYS 43 HZ1 LYS 43 0.743 -8.380 6.161 334 HZ2 LYS 43 HZ2 LYS 43 1.735 -8.861 4.869 335 HZ3 LYS 43 HZ3 LYS 43 1.133 -10.017 5.959 336 H LYS 44 H LYS 44 -5.320 -6.850 4.390 337 HA LYS 44 HA LYS 44 -4.379 -4.450 2.925 338 HB2 LYS 44 HB3 LYS 44 -5.972 -3.217 4.244 339 HB3 LYS 44 HB2 LYS 44 -6.778 -4.691 3.707 340 HG2 LYS 44 HG3 LYS 44 -6.148 -5.753 5.899 341 HG3 LYS 44 HG2 LYS 44 -5.545 -4.182 6.428 342 HD2 LYS 44 HD3 LYS 44 -7.770 -3.194 6.097 343 HD3 LYS 44 HD2 LYS 44 -8.384 -4.743 5.521 344 HE2 LYS 44 HE3 LYS 44 -8.830 -4.186 7.986 345 HE3 LYS 44 HE2 LYS 44 -8.117 -5.764 7.653 346 HZ1 LYS 44 HZ1 LYS 44 -6.973 -4.638 9.459 347 HZ2 LYS 44 HZ2 LYS 44 -6.624 -3.322 8.443 348 HZ3 LYS 44 HZ3 LYS 44 -5.939 -4.844 8.129 349 H PHE 45 H PHE 45 -2.692 -3.240 3.666 350 HA PHE 45 HA PHE 45 -1.900 -3.502 6.524 351 HB2 PHE 45 HB3 PHE 45 0.540 -3.482 5.598 352 HB3 PHE 45 HB2 PHE 45 -0.353 -5.003 5.587 353 HD1 PHE 45 HD2 PHE 45 -1.806 -5.444 3.422 354 HD2 PHE 45 HD1 PHE 45 1.531 -2.747 3.614 355 HE1 PHE 45 HE2 PHE 45 -1.558 -5.575 0.957 356 HE2 PHE 45 HE1 PHE 45 1.781 -2.878 1.151 357 HZ PHE 45 HZ PHE 45 0.236 -4.293 -0.178 358 H ARG 46 H ARG 46 -0.919 -1.614 7.358 359 HA ARG 46 HA ARG 46 -0.554 0.660 5.473 360 HB2 ARG 46 HB3 ARG 46 -1.759 2.138 7.127 361 HB3 ARG 46 HB2 ARG 46 -2.802 0.975 6.306 362 HG2 ARG 46 HG3 ARG 46 -2.680 -0.536 8.232 363 HG3 ARG 46 HG2 ARG 46 -1.579 0.572 9.052 364 HD2 ARG 46 HD3 ARG 46 -3.315 2.314 9.063 365 HD3 ARG 46 HD2 ARG 46 -4.418 1.233 8.210 366 HE ARG 46 HE ARG 46 -4.722 0.005 10.234 367 HH11 ARG 46 HH21 ARG 46 -2.240 2.391 10.421 368 HH12 ARG 46 HH22 ARG 46 -2.092 2.292 12.145 369 HH21 ARG 46 HH11 ARG 46 -4.543 -0.136 12.483 370 HH22 ARG 46 HH12 ARG 46 -3.396 0.862 13.312 371 H SER 47 H SER 47 1.590 -0.654 6.446 372 HA SER 47 HA SER 47 2.759 1.346 8.276 373 HB2 SER 47 HB3 SER 47 3.196 -0.053 10.043 374 HB3 SER 47 HB2 SER 47 1.741 -0.853 9.458 375 HG SER 47 HG SER 47 4.384 -1.645 9.366 376 H LYS 48 H LYS 48 4.881 1.717 7.737 377 HA LYS 48 HA LYS 48 5.994 0.644 5.357 378 HB2 LYS 48 HB3 LYS 48 6.738 2.567 7.319 379 HB3 LYS 48 HB2 LYS 48 8.101 1.464 7.127 380 HG2 LYS 48 HG3 LYS 48 7.991 1.781 4.668 381 HG3 LYS 48 HG2 LYS 48 6.669 2.928 4.889 382 HD2 LYS 48 HD3 LYS 48 8.228 4.252 6.404 383 HD3 LYS 48 HD2 LYS 48 9.530 3.208 5.831 384 HE2 LYS 48 HE3 LYS 48 9.664 4.987 4.325 385 HE3 LYS 48 HE2 LYS 48 8.629 3.859 3.451 386 HZ1 LYS 48 HZ1 LYS 48 8.023 6.444 4.079 387 HZ2 LYS 48 HZ2 LYS 48 7.149 5.540 5.224 388 HZ3 LYS 48 HZ3 LYS 48 6.925 5.258 3.563 389 HA PRO 49 HA PRO 49 8.648 -2.074 8.539 390 HB2 PRO 49 HB3 PRO 49 6.391 -2.524 10.438 391 HB3 PRO 49 HB2 PRO 49 8.123 -2.343 10.769 392 HG2 PRO 49 HG3 PRO 49 6.411 -0.383 11.293 393 HG3 PRO 49 HG2 PRO 49 8.039 -0.049 10.679 394 HD2 PRO 49 HD3 PRO 49 5.415 0.068 9.227 395 HD3 PRO 49 HD2 PRO 49 6.867 1.069 8.999 396 H GLN 50 H GLN 50 5.124 -2.621 8.275 397 HA GLN 50 HA GLN 50 5.344 -5.474 7.940 398 HB2 GLN 50 HB3 GLN 50 3.175 -3.484 7.235 399 HB3 GLN 50 HB2 GLN 50 3.001 -5.218 6.967 400 HG2 GLN 50 HG2 GLN 50 3.413 -5.636 9.363 401 HG3 GLN 50 HG3 GLN 50 3.585 -3.901 9.635 402 HE21 GLN 50 HE21 GLN 50 1.701 -3.336 10.770 403 HE22 GLN 50 HE22 GLN 50 0.127 -3.704 10.254 404 H LEU 51 H LEU 51 5.396 -2.740 5.705 405 HA LEU 51 HA LEU 51 5.095 -4.174 3.271 406 HB2 LEU 51 HB2 LEU 51 5.296 -1.585 3.771 407 HB3 LEU 51 HB3 LEU 51 7.006 -1.870 3.450 408 HG LEU 51 HG LEU 51 5.909 -1.238 1.369 409 HD11 LEU 51 HD11 LEU 51 7.639 -3.160 1.491 410 HD12 LEU 51 HD12 LEU 51 6.681 -3.021 0.017 411 HD13 LEU 51 HD13 LEU 51 6.265 -4.233 1.228 412 HD21 LEU 51 HD21 LEU 51 3.868 -2.022 0.713 413 HD22 LEU 51 HD22 LEU 51 3.690 -2.437 2.416 414 HD23 LEU 51 HD23 LEU 51 4.211 -3.662 1.261 415 H ALA 52 H ALA 52 8.078 -3.301 5.046 416 HA ALA 52 HA ALA 52 9.793 -4.754 3.220 417 HB1 ALA 52 HB1 ALA 52 10.746 -2.956 4.529 418 HB2 ALA 52 HB2 ALA 52 11.499 -4.460 5.057 419 HB3 ALA 52 HB3 ALA 52 10.234 -3.718 6.036 420 H ARG 53 H ARG 53 8.229 -5.517 6.309 421 HA ARG 53 HA ARG 53 9.560 -7.944 6.888 422 HB2 ARG 53 HB3 ARG 53 7.928 -6.805 8.403 423 HB3 ARG 53 HB2 ARG 53 6.622 -7.336 7.344 424 HG2 ARG 53 HG3 ARG 53 7.330 -9.698 7.707 425 HG3 ARG 53 HG2 ARG 53 8.553 -9.129 8.844 426 HD2 ARG 53 HD3 ARG 53 5.582 -8.596 9.126 427 HD3 ARG 53 HD2 ARG 53 6.446 -9.881 9.969 428 HE ARG 53 HE ARG 53 7.821 -7.472 10.514 429 HH11 ARG 53 HH21 ARG 53 4.733 -8.930 10.982 430 HH12 ARG 53 HH22 ARG 53 4.411 -8.089 12.461 431 HH21 ARG 53 HH11 ARG 53 7.418 -6.362 12.441 432 HH22 ARG 53 HH12 ARG 53 5.931 -6.634 13.287 433 H TYR 54 H TYR 54 6.552 -7.454 5.005 434 HA TYR 54 HA TYR 54 6.337 -10.227 4.246 435 HB2 TYR 54 HB3 TYR 54 4.513 -8.392 4.191 436 HB3 TYR 54 HB2 TYR 54 5.221 -7.925 2.644 437 HD1 TYR 54 HD2 TYR 54 5.366 -9.623 0.784 438 HD2 TYR 54 HD1 TYR 54 3.148 -10.338 4.392 439 HE1 TYR 54 HE2 TYR 54 4.142 -11.467 -0.334 440 HE2 TYR 54 HE1 TYR 54 1.925 -12.182 3.274 441 HH TYR 54 HH TYR 54 1.628 -12.580 0.181 442 H LEU 55 H LEU 55 7.498 -7.341 2.473 443 HA LEU 55 HA LEU 55 8.309 -8.783 0.134 444 HB2 LEU 55 HB2 LEU 55 8.937 -6.094 1.305 445 HB3 LEU 55 HB3 LEU 55 9.937 -6.695 -0.018 446 HG LEU 55 HG LEU 55 7.941 -5.320 -0.749 447 HD11 LEU 55 HD11 LEU 55 9.116 -7.472 -1.921 448 HD12 LEU 55 HD12 LEU 55 7.835 -6.531 -2.685 449 HD13 LEU 55 HD13 LEU 55 7.444 -8.031 -1.843 450 HD21 LEU 55 HD21 LEU 55 6.513 -6.511 1.104 451 HD22 LEU 55 HD22 LEU 55 6.288 -7.756 -0.127 452 HD23 LEU 55 HD23 LEU 55 5.755 -6.103 -0.438 453 H GLY 56 H GLY 56 9.422 -9.159 3.200 454 HA2 GLY 56 HA2 GLY 56 11.404 -10.019 4.122 455 HA3 GLY 56 HA3 GLY 56 11.602 -10.805 2.554 456 H GLY 57 H GLY 57 11.934 -7.516 3.944 457 HA2 GLY 57 HA2 GLY 57 13.407 -5.796 3.203 458 HA3 GLY 57 HA3 GLY 57 14.587 -7.017 3.678 459 H SER 58 H SER 58 12.336 -7.309 0.966 460 HA SER 58 HA SER 58 14.612 -7.827 -0.825 461 HB2 SER 58 HB3 SER 58 11.617 -7.832 -1.298 462 HB3 SER 58 HB2 SER 58 12.815 -8.272 -2.512 463 HG SER 58 HG SER 58 13.547 -9.715 -0.602 464 H MET 59 H MET 59 13.157 -5.074 0.272 465 HA MET 59 HA MET 59 14.213 -3.508 -1.974 466 HB2 MET 59 HB3 MET 59 11.868 -4.134 -2.663 467 HB3 MET 59 HB2 MET 59 11.281 -3.252 -1.253 468 HG2 MET 59 HG3 MET 59 12.189 -1.181 -2.067 469 HG3 MET 59 HG2 MET 59 13.065 -2.005 -3.356 470 HE1 MET 59 HE1 MET 59 9.819 -1.534 -1.645 471 HE2 MET 59 HE2 MET 59 9.241 -3.030 -2.373 472 HE3 MET 59 HE3 MET 59 8.556 -1.488 -2.883 473 H ASP 60 H ASP 60 14.540 -1.302 -1.376 474 HA ASP 60 HA ASP 60 14.589 -0.874 1.537 475 HB2 ASP 60 HB2 ASP 60 15.612 0.731 -0.818 476 HB3 ASP 60 HB3 ASP 60 15.719 1.301 0.848 477 H LEU 61 H LEU 61 12.621 -0.282 2.368 478 HA LEU 61 HA LEU 61 10.848 1.497 0.815 479 HB2 LEU 61 HB2 LEU 61 10.567 -0.026 3.406 480 HB3 LEU 61 HB3 LEU 61 9.383 1.189 2.923 481 HG LEU 61 HG LEU 61 8.796 -1.160 2.213 482 HD11 LEU 61 HD11 LEU 61 7.791 -0.384 0.291 483 HD12 LEU 61 HD12 LEU 61 9.269 0.375 -0.300 484 HD13 LEU 61 HD13 LEU 61 8.317 1.161 0.960 485 HD21 LEU 61 HD21 LEU 61 10.073 -2.261 0.533 486 HD22 LEU 61 HD22 LEU 61 11.264 -1.685 1.697 487 HD23 LEU 61 HD23 LEU 61 11.013 -0.809 0.187 488 H SER 62 H SER 62 13.419 1.888 2.908 489 HA SER 62 HA SER 62 12.571 3.955 4.660 490 HB2 SER 62 HB3 SER 62 15.247 3.387 3.367 491 HB3 SER 62 HB2 SER 62 15.016 4.677 4.546 492 HG SER 62 HG SER 62 13.908 2.323 5.342 493 H THR 63 H THR 63 13.504 4.034 1.257 494 HA THR 63 HA THR 63 13.229 6.991 1.229 495 HB THR 63 HB THR 63 13.943 6.682 -1.203 496 HG1 THR 63 HG1 THR 63 14.145 4.726 -1.899 497 HG21 THR 63 HG21 THR 63 15.592 7.385 0.378 498 HG22 THR 63 HG22 THR 63 16.316 6.054 -0.524 499 HG23 THR 63 HG23 THR 63 15.681 5.778 1.099 500 H PHE 64 H PHE 64 11.104 4.590 1.242 501 HA PHE 64 HA PHE 64 9.516 5.400 -1.115 502 HB2 PHE 64 HB3 PHE 64 9.590 3.016 -0.500 503 HB3 PHE 64 HB2 PHE 64 8.928 3.400 1.089 504 HD1 PHE 64 HD1 PHE 64 8.201 3.705 -2.566 505 HD2 PHE 64 HD2 PHE 64 6.600 3.527 1.415 506 HE1 PHE 64 HE1 PHE 64 5.903 3.597 -3.494 507 HE2 PHE 64 HE2 PHE 64 4.303 3.419 0.488 508 HZ PHE 64 HZ PHE 64 3.954 3.453 -1.968 509 H ASP 65 H ASP 65 7.767 6.767 -1.001 510 HA ASP 65 HA ASP 65 7.305 8.161 1.549 511 HB2 ASP 65 HB2 ASP 65 6.154 8.537 -1.230 512 HB3 ASP 65 HB3 ASP 65 5.733 9.547 0.152 513 H PHE 66 H PHE 66 5.954 7.174 2.979 514 HA PHE 66 HA PHE 66 3.940 5.259 2.126 515 HB2 PHE 66 HB3 PHE 66 5.074 5.040 4.304 516 HB3 PHE 66 HB2 PHE 66 4.385 6.579 4.821 517 HD1 PHE 66 HD2 PHE 66 3.331 3.258 3.428 518 HD2 PHE 66 HD1 PHE 66 2.351 6.581 5.968 519 HE1 PHE 66 HE2 PHE 66 1.268 2.092 4.159 520 HE2 PHE 66 HE1 PHE 66 0.289 5.414 6.700 521 HZ PHE 66 HZ PHE 66 -0.252 3.169 5.795 522 H ARG 67 H ARG 67 3.824 8.557 3.499 523 HA ARG 67 HA ARG 67 1.010 8.838 3.559 524 HB2 ARG 67 HB3 ARG 67 2.818 10.447 4.447 525 HB3 ARG 67 HB2 ARG 67 2.876 11.091 2.806 526 HG2 ARG 67 HG3 ARG 67 1.179 12.439 3.482 527 HG3 ARG 67 HG2 ARG 67 0.168 11.006 3.289 528 HD2 ARG 67 HD3 ARG 67 1.514 11.947 5.836 529 HD3 ARG 67 HD2 ARG 67 -0.219 11.913 5.504 530 HE ARG 67 HE ARG 67 0.539 9.280 5.172 531 HH11 ARG 67 HH21 ARG 67 0.964 11.688 7.602 532 HH12 ARG 67 HH22 ARG 67 0.999 10.553 8.911 533 HH21 ARG 67 HH11 ARG 67 0.581 7.783 6.865 534 HH22 ARG 67 HH12 ARG 67 0.782 8.342 8.493 535 H THR 68 H THR 68 3.305 9.498 0.911 536 HA THR 68 HA THR 68 1.025 10.060 -0.901 537 HB THR 68 HB THR 68 2.677 10.832 -2.475 538 HG1 THR 68 HG1 THR 68 4.129 8.984 -1.612 539 HG21 THR 68 HG21 THR 68 2.191 12.187 -0.331 540 HG22 THR 68 HG22 THR 68 3.619 12.631 -1.266 541 HG23 THR 68 HG23 THR 68 3.791 11.667 0.200 542 H GLY 69 H GLY 69 3.068 7.471 0.023 543 HA2 GLY 69 HA2 GLY 69 3.205 5.266 -0.767 544 HA3 GLY 69 HA3 GLY 69 1.738 5.600 -1.686 545 H LYS 70 H LYS 70 4.785 7.368 -2.001 546 HA LYS 70 HA LYS 70 5.071 6.197 -4.738 547 HB2 LYS 70 HB3 LYS 70 5.485 9.074 -3.869 548 HB3 LYS 70 HB2 LYS 70 5.901 8.441 -5.463 549 HG2 LYS 70 HG3 LYS 70 3.571 7.842 -5.877 550 HG3 LYS 70 HG2 LYS 70 3.124 8.354 -4.249 551 HD2 LYS 70 HD3 LYS 70 2.558 10.220 -5.569 552 HD3 LYS 70 HD2 LYS 70 4.145 10.646 -4.928 553 HE2 LYS 70 HE3 LYS 70 5.225 9.947 -6.988 554 HE3 LYS 70 HE2 LYS 70 3.698 9.335 -7.624 555 HZ1 LYS 70 HZ1 LYS 70 2.826 11.492 -7.776 556 HZ2 LYS 70 HZ2 LYS 70 4.403 11.612 -8.397 557 HZ3 LYS 70 HZ3 LYS 70 4.062 12.162 -6.825 558 H MET 71 H MET 71 7.259 5.982 -5.481 559 HA MET 71 HA MET 71 9.211 5.771 -3.261 560 HB2 MET 71 HB3 MET 71 8.930 3.850 -4.804 561 HB3 MET 71 HB2 MET 71 9.421 4.875 -6.153 562 HG2 MET 71 HG3 MET 71 11.334 3.561 -5.351 563 HG3 MET 71 HG2 MET 71 11.599 5.277 -5.037 564 HE1 MET 71 HE1 MET 71 10.836 1.871 -3.914 565 HE2 MET 71 HE2 MET 71 11.306 1.806 -2.218 566 HE3 MET 71 HE3 MET 71 12.524 2.127 -3.451 567 H LEU 72 H LEU 72 10.633 7.405 -2.931 568 HA LEU 72 HA LEU 72 11.082 9.355 -5.135 569 HB2 LEU 72 HB2 LEU 72 10.361 10.286 -2.973 570 HB3 LEU 72 HB3 LEU 72 11.737 9.525 -2.176 571 HG LEU 72 HG LEU 72 13.288 10.844 -3.548 572 HD11 LEU 72 HD11 LEU 72 12.275 11.238 -5.602 573 HD12 LEU 72 HD12 LEU 72 12.051 12.805 -4.824 574 HD13 LEU 72 HD13 LEU 72 10.722 11.647 -4.873 575 HD21 LEU 72 HD21 LEU 72 12.532 13.162 -2.724 576 HD22 LEU 72 HD22 LEU 72 12.716 11.910 -1.497 577 HD23 LEU 72 HD23 LEU 72 11.109 12.342 -2.080
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